make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0303' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0303.t06.str2 mkdir -p decoys rm decoys/read-pdb+servers.under cd decoys; shopt -s nullglob ; for x in ../*.ts-submitted* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in *.pdb* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in ../*mer/decoys/*.pdb* ; \ do echo ReadConformPDB $x chain A >> read-pdb+servers.under ; \ y=${x#../} ;\ z=${y/decoys} ;\ a=${z/T0303.} ;\ b=${a%.gz} ;\ c=${b%.pdb} ;\ echo NameConform $c >> read-pdb+servers.under ; \ done cd decoys; shopt -s nullglob ; for x in servers/*.pdb.gz ; do \ echo ReadConformPDB $x >> read-pdb+servers.under ; \ y=${x%.pdb.gz} ; \ z=${y#servers/} ; \ echo NameConform $z >> read-pdb+servers.under ; \ echo SCWRLConform >> read-pdb+servers.under ; \ echo NameConform $z-scwrl >> read-pdb+servers.under ; \ done chgrp protein decoys/read-pdb+servers.under chmod g+w decoys/read-pdb+servers.under rm -f decoys/evaluate.anglevector.rdb sed -e s/XXX0000/T0303/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hszA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182807085 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.858 sec, elapsed time= 6.909 sec. # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.500 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.500 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.500 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.650 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.900 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 6.939 sec, elapsed time= 7.010 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0303 numbered 1 through 224 Created new target T0303 from T0303.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hszA expands to /projects/compbio/data/pdb/2hsz.pdb.gz 2hszA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 21, because occupancy 0.5 <= existing 0.500 in 2hszA Skipped atom 23, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 25, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 27, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 29, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 31, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 33, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 35, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 37, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 261, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 265, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 267, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 269, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 271, because occupancy 0.500 <= existing 0.500 in 2hszA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 729, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 733, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 735, because occupancy 0.500 <= existing 0.500 in 2hszA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 225 residues and 1758 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 12.288 sec, elapsed time= 13.107 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -68.304 # GDT_score(maxd=8.000,maxw=2.900)= -70.656 # GDT_score(maxd=8.000,maxw=3.200)= -67.417 # GDT_score(maxd=8.000,maxw=3.500)= -64.084 # GDT_score(maxd=10.000,maxw=3.800)= -67.175 # GDT_score(maxd=10.000,maxw=4.000)= -65.056 # GDT_score(maxd=10.000,maxw=4.200)= -63.006 # GDT_score(maxd=12.000,maxw=4.300)= -66.824 # GDT_score(maxd=12.000,maxw=4.500)= -64.816 # GDT_score(maxd=12.000,maxw=4.700)= -62.831 # GDT_score(maxd=14.000,maxw=5.200)= -61.787 # GDT_score(maxd=14.000,maxw=5.500)= -58.985 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0303.model1-real.pdb for output Error: Couldn't open file T0303.model1-real.pdb for output superimposing iter= 0 total_weight= 2648.000 rmsd (weighted)= 4.252 (unweighted)= 10.093 superimposing iter= 1 total_weight= 6547.460 rmsd (weighted)= 2.043 (unweighted)= 10.084 superimposing iter= 2 total_weight= 2921.651 rmsd (weighted)= 1.518 (unweighted)= 10.124 superimposing iter= 3 total_weight= 2357.007 rmsd (weighted)= 1.273 (unweighted)= 10.177 superimposing iter= 4 total_weight= 2126.496 rmsd (weighted)= 1.133 (unweighted)= 10.225 superimposing iter= 5 total_weight= 2003.577 rmsd (weighted)= 1.043 (unweighted)= 10.267 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 -18.273 62.356 5.151 1.00 0.00 ATOM 2 CA MET A 1 -17.558 61.322 4.335 1.00 0.00 ATOM 3 CB MET A 1 -16.489 61.572 3.534 1.00 0.00 ATOM 4 CG MET A 1 -15.652 60.350 3.170 1.00 0.00 ATOM 5 SD MET A 1 -14.131 60.773 2.277 1.00 0.00 ATOM 6 CE MET A 1 -13.988 59.363 1.109 1.00 0.00 ATOM 7 O MET A 1 -17.688 59.793 6.211 1.00 0.00 ATOM 8 C MET A 1 -17.705 59.931 4.977 1.00 0.00 ATOM 9 N THR A 2 -17.871 58.907 4.145 1.00 0.00 ATOM 10 CA THR A 2 -18.028 57.540 4.642 1.00 0.00 ATOM 11 CB THR A 2 -18.365 56.668 3.360 1.00 0.00 ATOM 12 CG2 THR A 2 -18.564 55.206 3.729 1.00 0.00 ATOM 13 OG1 THR A 2 -19.634 57.073 2.800 1.00 0.00 ATOM 14 O THR A 2 -17.011 56.350 6.458 1.00 0.00 ATOM 15 C THR A 2 -16.834 56.989 5.421 1.00 0.00 ATOM 16 N GLN A 3 -15.621 57.249 4.974 1.00 0.00 ATOM 17 CA GLN A 3 -14.443 56.722 5.668 1.00 0.00 ATOM 18 CB GLN A 3 -13.202 56.734 4.775 1.00 0.00 ATOM 19 CG GLN A 3 -13.320 55.869 3.532 1.00 0.00 ATOM 20 CD GLN A 3 -13.568 54.410 3.864 1.00 0.00 ATOM 21 OE1 GLN A 3 -12.907 53.835 4.734 1.00 0.00 ATOM 22 NE2 GLN A 3 -14.522 53.799 3.170 1.00 0.00 ATOM 23 O GLN A 3 -13.354 57.019 7.791 1.00 0.00 ATOM 24 C GLN A 3 -14.131 57.490 6.965 1.00 0.00 ATOM 25 N PHE A 4 -14.736 58.664 7.142 1.00 0.00 ATOM 26 CA PHE A 4 -14.494 59.444 8.373 1.00 0.00 ATOM 27 CB PHE A 4 -15.057 60.859 8.228 1.00 0.00 ATOM 28 CG PHE A 4 -14.512 61.611 7.046 1.00 0.00 ATOM 29 CD1 PHE A 4 -13.415 61.130 6.347 1.00 0.00 ATOM 30 CD2 PHE A 4 -15.095 62.799 6.633 1.00 0.00 ATOM 31 CE1 PHE A 4 -12.914 61.822 5.259 1.00 0.00 ATOM 32 CE2 PHE A 4 -14.596 63.493 5.547 1.00 0.00 ATOM 33 CZ PHE A 4 -13.503 63.002 4.860 1.00 0.00 ATOM 34 O PHE A 4 -16.268 58.295 9.506 1.00 0.00 ATOM 35 C PHE A 4 -15.122 58.735 9.562 1.00 0.00 ATOM 36 N LYS A 5 -14.354 58.601 10.652 1.00 0.00 ATOM 37 CA LYS A 5 -14.822 57.956 11.867 1.00 0.00 ATOM 38 CB LYS A 5 -14.159 56.611 12.164 1.00 0.00 ATOM 39 CG LYS A 5 -14.520 55.503 11.181 1.00 0.00 ATOM 40 CD LYS A 5 -13.847 54.192 11.556 1.00 0.00 ATOM 41 CE LYS A 5 -14.151 53.101 10.538 1.00 0.00 ATOM 42 NZ LYS A 5 -13.475 51.820 10.879 1.00 0.00 ATOM 43 O LYS A 5 -15.302 58.779 14.057 1.00 0.00 ATOM 44 C LYS A 5 -14.642 58.976 13.000 1.00 0.00 ATOM 45 N LEU A 6 -13.749 59.948 12.896 1.00 0.00 ATOM 46 CA LEU A 6 -13.495 60.915 13.999 1.00 0.00 ATOM 47 CB LEU A 6 -12.135 60.499 14.574 1.00 0.00 ATOM 48 CG LEU A 6 -11.682 61.284 15.811 1.00 0.00 ATOM 49 CD1 LEU A 6 -10.884 60.381 16.740 1.00 0.00 ATOM 50 CD2 LEU A 6 -10.848 62.481 15.378 1.00 0.00 ATOM 51 O LEU A 6 -13.053 62.589 12.326 1.00 0.00 ATOM 52 C LEU A 6 -13.458 62.346 13.470 1.00 0.00 ATOM 53 N ILE A 7 -13.923 63.272 14.291 1.00 0.00 ATOM 54 CA ILE A 7 -14.006 64.672 13.890 1.00 0.00 ATOM 55 CB ILE A 7 -15.464 65.168 13.904 1.00 0.00 ATOM 56 CG1 ILE A 7 -16.335 64.292 12.999 1.00 0.00 ATOM 57 CG2 ILE A 7 -15.534 66.624 13.466 1.00 0.00 ATOM 58 CD1 ILE A 7 -17.818 64.550 13.147 1.00 0.00 ATOM 59 O ILE A 7 -13.365 65.565 16.019 1.00 0.00 ATOM 60 C ILE A 7 -13.133 65.534 14.799 1.00 0.00 ATOM 61 N GLY A 8 -12.202 66.229 14.172 1.00 0.00 ATOM 62 CA GLY A 8 -11.342 67.141 14.924 1.00 0.00 ATOM 63 O GLY A 8 -12.355 68.939 13.698 1.00 0.00 ATOM 64 C GLY A 8 -11.859 68.578 14.763 1.00 0.00 ATOM 65 N PHE A 9 -11.772 69.371 15.825 1.00 0.00 ATOM 66 CA PHE A 9 -12.218 70.754 15.781 1.00 0.00 ATOM 67 CB PHE A 9 -13.435 70.956 16.687 1.00 0.00 ATOM 68 CG PHE A 9 -14.623 70.125 16.297 1.00 0.00 ATOM 69 CD1 PHE A 9 -14.826 68.872 16.860 1.00 0.00 ATOM 70 CD2 PHE A 9 -15.542 70.588 15.365 1.00 0.00 ATOM 71 CE1 PHE A 9 -15.920 68.105 16.505 1.00 0.00 ATOM 72 CE2 PHE A 9 -16.634 69.825 15.008 1.00 0.00 ATOM 73 CZ PHE A 9 -16.824 68.581 15.578 1.00 0.00 ATOM 74 O PHE A 9 -10.456 71.438 17.263 1.00 0.00 ATOM 75 C PHE A 9 -11.160 71.731 16.301 1.00 0.00 ATOM 76 N ASP A 10 -11.084 72.884 15.514 1.00 0.00 ATOM 77 CA ASP A 10 -10.139 73.908 15.946 1.00 0.00 ATOM 78 CB ASP A 10 -9.825 74.870 14.866 1.00 0.00 ATOM 79 CG ASP A 10 -8.679 75.786 15.208 1.00 0.00 ATOM 80 OD1 ASP A 10 -8.040 75.619 16.290 1.00 0.00 ATOM 81 OD2 ASP A 10 -8.394 76.675 14.370 1.00 0.00 ATOM 82 O ASP A 10 -12.255 74.434 16.963 1.00 0.00 ATOM 83 C ASP A 10 -11.027 74.540 17.020 1.00 0.00 ATOM 84 N LEU A 11 -10.479 75.170 18.072 1.00 0.00 ATOM 85 CA LEU A 11 -11.256 75.782 19.141 1.00 0.00 ATOM 86 CB LEU A 11 -10.445 75.625 20.443 1.00 0.00 ATOM 87 CG LEU A 11 -11.134 76.022 21.756 1.00 0.00 ATOM 88 CD1 LEU A 11 -12.473 75.306 21.935 1.00 0.00 ATOM 89 CD2 LEU A 11 -10.197 75.703 22.944 1.00 0.00 ATOM 90 O LEU A 11 -12.710 77.624 18.642 1.00 0.00 ATOM 91 C LEU A 11 -11.569 77.263 18.918 1.00 0.00 ATOM 92 N ASP A 12 -10.538 78.117 19.050 1.00 0.00 ATOM 93 CA ASP A 12 -10.740 79.557 18.851 1.00 0.00 ATOM 94 CB ASP A 12 -9.439 80.295 19.154 1.00 0.00 ATOM 95 CG ASP A 12 -9.015 80.128 20.558 1.00 0.00 ATOM 96 OD1 ASP A 12 -9.518 80.879 21.392 1.00 0.00 ATOM 97 OD2 ASP A 12 -8.204 79.216 20.839 1.00 0.00 ATOM 98 O ASP A 12 -10.419 79.236 16.518 1.00 0.00 ATOM 99 C ASP A 12 -11.056 79.804 17.388 1.00 0.00 ATOM 100 N GLY A 13 -12.038 80.646 17.119 1.00 0.00 ATOM 101 CA GLY A 13 -12.368 81.024 15.753 1.00 0.00 ATOM 102 O GLY A 13 -13.755 80.331 13.972 1.00 0.00 ATOM 103 C GLY A 13 -13.247 80.030 15.031 1.00 0.00 ATOM 104 N THR A 14 -13.459 78.860 15.630 1.00 0.00 ATOM 105 CA THR A 14 -14.306 77.835 15.029 1.00 0.00 ATOM 106 CB THR A 14 -13.436 76.585 14.719 1.00 0.00 ATOM 107 CG2 THR A 14 -14.287 75.438 14.230 1.00 0.00 ATOM 108 OG1 THR A 14 -12.462 76.921 13.721 1.00 0.00 ATOM 109 O THR A 14 -16.563 77.827 15.820 1.00 0.00 ATOM 110 C THR A 14 -15.393 77.553 16.059 1.00 0.00 ATOM 111 N LEU A 15 -14.994 77.046 17.299 1.00 0.00 ATOM 112 CA LEU A 15 -15.941 76.818 18.388 1.00 0.00 ATOM 113 CB LEU A 15 -15.478 75.672 19.297 1.00 0.00 ATOM 114 CG LEU A 15 -15.347 74.307 18.610 1.00 0.00 ATOM 115 CD1 LEU A 15 -14.765 73.289 19.581 1.00 0.00 ATOM 116 CD2 LEU A 15 -16.713 73.856 18.113 1.00 0.00 ATOM 117 O LEU A 15 -17.422 78.319 19.569 1.00 0.00 ATOM 118 C LEU A 15 -16.252 78.020 19.282 1.00 0.00 ATOM 119 N VAL A 16 -15.190 78.756 19.669 1.00 0.00 ATOM 120 CA VAL A 16 -15.230 79.850 20.618 1.00 0.00 ATOM 121 CB VAL A 16 -14.222 79.660 21.757 1.00 0.00 ATOM 122 CG1 VAL A 16 -14.451 78.340 22.455 1.00 0.00 ATOM 123 CG2 VAL A 16 -12.796 79.762 21.233 1.00 0.00 ATOM 124 O VAL A 16 -14.097 81.179 18.966 1.00 0.00 ATOM 125 C VAL A 16 -14.851 81.155 19.949 1.00 0.00 ATOM 126 N ASN A 17 -15.440 82.277 20.522 1.00 0.00 ATOM 127 CA ASN A 17 -15.292 83.602 19.943 1.00 0.00 ATOM 128 CB ASN A 17 -16.708 84.156 19.713 1.00 0.00 ATOM 129 CG ASN A 17 -17.381 84.574 20.983 1.00 0.00 ATOM 130 ND2 ASN A 17 -18.516 85.299 20.824 1.00 0.00 ATOM 131 OD1 ASN A 17 -16.904 84.296 22.074 1.00 0.00 ATOM 132 O ASN A 17 -14.615 85.789 20.651 1.00 0.00 ATOM 133 C ASN A 17 -14.461 84.542 20.800 1.00 0.00 ATOM 134 N SER A 18 -13.520 84.046 21.601 1.00 0.00 ATOM 135 CA SER A 18 -12.621 84.897 22.392 1.00 0.00 ATOM 136 CB SER A 18 -12.940 84.800 23.895 1.00 0.00 ATOM 137 OG SER A 18 -12.258 85.841 24.616 1.00 0.00 ATOM 138 O SER A 18 -11.084 83.048 22.064 1.00 0.00 ATOM 139 C SER A 18 -11.227 84.251 22.369 1.00 0.00 ATOM 140 N LEU A 19 -10.580 85.913 22.014 1.00 0.00 ATOM 141 CA LEU A 19 -9.723 86.029 20.806 1.00 0.00 ATOM 142 CB LEU A 19 -10.219 85.102 19.671 1.00 0.00 ATOM 143 CG LEU A 19 -9.411 85.296 18.387 1.00 0.00 ATOM 144 CD1 LEU A 19 -7.966 84.881 18.576 1.00 0.00 ATOM 145 CD2 LEU A 19 -9.998 84.528 17.191 1.00 0.00 ATOM 146 O LEU A 19 -8.402 87.890 20.067 1.00 0.00 ATOM 147 C LEU A 19 -9.515 87.501 20.434 1.00 0.00 ATOM 148 N PRO A 20 -10.534 88.333 20.583 1.00 0.00 ATOM 149 CA PRO A 20 -10.384 89.767 20.300 1.00 0.00 ATOM 150 CB PRO A 20 -11.772 90.348 20.576 1.00 0.00 ATOM 151 CG PRO A 20 -12.707 89.208 20.339 1.00 0.00 ATOM 152 CD PRO A 20 -12.011 87.986 20.864 1.00 0.00 ATOM 153 O PRO A 20 -8.462 91.153 20.750 1.00 0.00 ATOM 154 C PRO A 20 -9.311 90.382 21.208 1.00 0.00 ATOM 155 N ASP A 21 -9.291 89.944 22.461 1.00 0.00 ATOM 156 CA ASP A 21 -8.310 90.467 23.405 1.00 0.00 ATOM 157 CB ASP A 21 -8.674 90.086 24.842 1.00 0.00 ATOM 158 CG ASP A 21 -9.887 90.838 25.356 1.00 0.00 ATOM 159 OD1 ASP A 21 -10.297 91.822 24.705 1.00 0.00 ATOM 160 OD2 ASP A 21 -10.428 90.442 26.410 1.00 0.00 ATOM 161 O ASP A 21 -5.948 90.782 23.097 1.00 0.00 ATOM 162 C ASP A 21 -6.899 89.999 23.056 1.00 0.00 ATOM 163 N LEU A 22 -6.743 88.713 22.699 1.00 0.00 ATOM 164 CA LEU A 22 -5.431 88.194 22.328 1.00 0.00 ATOM 165 CB LEU A 22 -5.524 86.743 21.899 1.00 0.00 ATOM 166 CG LEU A 22 -4.208 86.120 21.425 1.00 0.00 ATOM 167 CD1 LEU A 22 -3.176 86.122 22.546 1.00 0.00 ATOM 168 CD2 LEU A 22 -4.492 84.699 20.966 1.00 0.00 ATOM 169 O LEU A 22 -3.747 89.369 21.089 1.00 0.00 ATOM 170 C LEU A 22 -4.906 88.958 21.115 1.00 0.00 ATOM 171 N ALA A 23 -5.777 89.181 20.139 1.00 0.00 ATOM 172 CA ALA A 23 -5.400 89.924 18.939 1.00 0.00 ATOM 173 CB ALA A 23 -6.521 89.947 17.938 1.00 0.00 ATOM 174 O ALA A 23 -4.041 91.865 18.744 1.00 0.00 ATOM 175 C ALA A 23 -4.998 91.344 19.288 1.00 0.00 ATOM 176 N LEU A 24 -5.718 91.979 20.198 1.00 0.00 ATOM 177 CA LEU A 24 -5.358 93.328 20.605 1.00 0.00 ATOM 178 CB LEU A 24 -6.375 93.899 21.573 1.00 0.00 ATOM 179 CG LEU A 24 -7.651 94.395 20.919 1.00 0.00 ATOM 180 CD1 LEU A 24 -8.684 94.653 21.972 1.00 0.00 ATOM 181 CD2 LEU A 24 -7.400 95.655 20.095 1.00 0.00 ATOM 182 O LEU A 24 -3.214 94.284 21.061 1.00 0.00 ATOM 183 C LEU A 24 -3.996 93.362 21.275 1.00 0.00 ATOM 184 N SER A 25 -3.723 92.375 22.114 1.00 0.00 ATOM 185 CA SER A 25 -2.440 92.305 22.789 1.00 0.00 ATOM 186 CB SER A 25 -2.446 91.146 23.779 1.00 0.00 ATOM 187 OG SER A 25 -3.323 91.415 24.847 1.00 0.00 ATOM 188 O SER A 25 -0.249 92.758 21.902 1.00 0.00 ATOM 189 C SER A 25 -1.300 92.123 21.790 1.00 0.00 ATOM 190 N ILE A 26 -1.553 91.301 20.767 1.00 0.00 ATOM 191 CA ILE A 26 -0.565 91.062 19.728 1.00 0.00 ATOM 192 CB ILE A 26 -0.963 89.884 18.820 1.00 0.00 ATOM 193 CG1 ILE A 26 -1.112 88.601 19.651 1.00 0.00 ATOM 194 CG2 ILE A 26 0.125 89.644 17.739 1.00 0.00 ATOM 195 CD1 ILE A 26 -1.675 87.429 18.836 1.00 0.00 ATOM 196 O ILE A 26 0.834 92.690 18.662 1.00 0.00 ATOM 197 C ILE A 26 -0.313 92.343 18.939 1.00 0.00 ATOM 198 N ASN A 27 -1.386 93.027 18.548 1.00 0.00 ATOM 199 CA ASN A 27 -1.254 94.276 17.797 1.00 0.00 ATOM 200 CB ASN A 27 -2.619 94.821 17.387 1.00 0.00 ATOM 201 CG ASN A 27 -2.526 96.039 16.478 1.00 0.00 ATOM 202 ND2 ASN A 27 -2.952 97.198 16.972 1.00 0.00 ATOM 203 OD1 ASN A 27 -2.076 95.930 15.342 1.00 0.00 ATOM 204 O ASN A 27 0.415 95.986 18.071 1.00 0.00 ATOM 205 C ASN A 27 -0.469 95.312 18.607 1.00 0.00 ATOM 206 N SER A 28 -0.765 95.417 19.903 1.00 0.00 ATOM 207 CA SER A 28 -0.075 96.382 20.757 1.00 0.00 ATOM 208 CB SER A 28 -0.723 96.419 22.128 1.00 0.00 ATOM 209 OG SER A 28 -2.019 96.949 22.080 1.00 0.00 ATOM 210 O SER A 28 2.262 96.960 20.886 1.00 0.00 ATOM 211 C SER A 28 1.419 96.064 20.898 1.00 0.00 ATOM 212 N ALA A 29 1.735 94.788 20.986 1.00 0.00 ATOM 213 CA ALA A 29 3.132 94.379 21.086 1.00 0.00 ATOM 214 CB ALA A 29 3.248 92.863 21.222 1.00 0.00 ATOM 215 O ALA A 29 5.019 95.287 19.923 1.00 0.00 ATOM 216 C ALA A 29 3.898 94.792 19.834 1.00 0.00 ATOM 217 N LEU A 30 3.288 94.592 18.676 1.00 0.00 ATOM 218 CA LEU A 30 3.933 94.970 17.425 1.00 0.00 ATOM 219 CB LEU A 30 3.166 94.467 16.231 1.00 0.00 ATOM 220 CG LEU A 30 2.934 92.952 16.190 1.00 0.00 ATOM 221 CD1 LEU A 30 2.302 92.586 14.839 1.00 0.00 ATOM 222 CD2 LEU A 30 4.221 92.154 16.407 1.00 0.00 ATOM 223 O LEU A 30 5.159 96.971 16.872 1.00 0.00 ATOM 224 C LEU A 30 4.140 96.482 17.358 1.00 0.00 ATOM 225 N LYS A 31 3.151 97.241 17.826 1.00 0.00 ATOM 226 CA LYS A 31 3.241 98.697 17.835 1.00 0.00 ATOM 227 CB LYS A 31 1.908 99.308 18.295 1.00 0.00 ATOM 228 CG LYS A 31 1.901 100.832 18.381 1.00 0.00 ATOM 229 CD LYS A 31 2.334 101.505 17.085 1.00 0.00 ATOM 230 CE LYS A 31 1.335 101.307 15.967 1.00 0.00 ATOM 231 NZ LYS A 31 1.749 102.055 14.740 1.00 0.00 ATOM 232 O LYS A 31 5.126 100.110 18.307 1.00 0.00 ATOM 233 C LYS A 31 4.435 99.156 18.672 1.00 0.00 ATOM 234 N ASP A 32 4.672 98.471 19.762 1.00 0.00 ATOM 235 CA ASP A 32 5.797 98.805 20.635 1.00 0.00 ATOM 236 CB ASP A 32 5.773 97.959 21.954 1.00 0.00 ATOM 237 CG ASP A 32 4.504 98.148 22.736 1.00 0.00 ATOM 238 OD1 ASP A 32 4.198 97.323 23.638 1.00 0.00 ATOM 239 OD2 ASP A 32 3.749 99.085 22.434 1.00 0.00 ATOM 240 O ASP A 32 8.110 99.361 20.318 1.00 0.00 ATOM 241 C ASP A 32 7.141 98.716 19.914 1.00 0.00 ATOM 242 N VAL A 33 7.231 97.850 18.865 1.00 0.00 ATOM 243 CA VAL A 33 8.444 97.713 18.056 1.00 0.00 ATOM 244 CB VAL A 33 8.797 96.240 17.781 1.00 0.00 ATOM 245 CG1 VAL A 33 9.129 95.518 19.077 1.00 0.00 ATOM 246 CG2 VAL A 33 7.629 95.527 17.119 1.00 0.00 ATOM 247 O VAL A 33 9.025 98.045 15.750 1.00 0.00 ATOM 248 C VAL A 33 8.301 98.393 16.693 1.00 0.00 ATOM 249 N ASN A 34 7.308 99.289 16.566 1.00 0.00 ATOM 250 CA ASN A 34 7.155 100.105 15.388 1.00 0.00 ATOM 251 CB ASN A 34 8.487 100.758 14.918 1.00 0.00 ATOM 252 CG ASN A 34 8.295 102.047 14.075 1.00 0.00 ATOM 253 ND2 ASN A 34 9.163 102.279 13.099 1.00 0.00 ATOM 254 OD1 ASN A 34 7.336 102.810 14.323 1.00 0.00 ATOM 255 O ASN A 34 6.905 99.655 13.018 1.00 0.00 ATOM 256 C ASN A 34 6.608 99.339 14.173 1.00 0.00 ATOM 257 N LEU A 35 5.837 98.337 14.412 1.00 0.00 ATOM 258 CA LEU A 35 5.203 97.534 13.364 1.00 0.00 ATOM 259 CB LEU A 35 5.504 96.041 13.512 1.00 0.00 ATOM 260 CG LEU A 35 6.979 95.639 13.474 1.00 0.00 ATOM 261 CD1 LEU A 35 7.135 94.141 13.701 1.00 0.00 ATOM 262 CD2 LEU A 35 7.596 95.982 12.127 1.00 0.00 ATOM 263 O LEU A 35 3.228 97.590 14.606 1.00 0.00 ATOM 264 C LEU A 35 3.698 97.790 13.498 1.00 0.00 ATOM 265 N PRO A 36 3.023 98.405 12.447 1.00 0.00 ATOM 266 CA PRO A 36 1.632 98.865 12.622 1.00 0.00 ATOM 267 CB PRO A 36 1.659 100.315 12.135 1.00 0.00 ATOM 268 CG PRO A 36 2.602 100.303 10.978 1.00 0.00 ATOM 269 CD PRO A 36 3.680 99.315 11.329 1.00 0.00 ATOM 270 O PRO A 36 -0.561 98.211 12.062 1.00 0.00 ATOM 271 C PRO A 36 0.640 97.961 11.925 1.00 0.00 ATOM 272 N GLN A 37 1.197 96.954 11.162 1.00 0.00 ATOM 273 CA GLN A 37 0.300 96.149 10.321 1.00 0.00 ATOM 274 CB GLN A 37 1.220 95.723 9.024 1.00 0.00 ATOM 275 CG GLN A 37 0.408 94.917 7.994 1.00 0.00 ATOM 276 CD GLN A 37 -0.592 95.843 7.326 1.00 0.00 ATOM 277 OE1 GLN A 37 -0.179 96.772 6.620 1.00 0.00 ATOM 278 NE2 GLN A 37 -1.873 95.605 7.555 1.00 0.00 ATOM 279 O GLN A 37 -1.412 94.483 10.125 1.00 0.00 ATOM 280 C GLN A 37 -0.628 95.076 10.872 1.00 0.00 ATOM 281 N ALA A 38 -0.653 94.794 12.239 1.00 0.00 ATOM 282 CA ALA A 38 -1.534 93.801 12.844 1.00 0.00 ATOM 283 CB ALA A 38 -1.169 93.511 14.292 1.00 0.00 ATOM 284 O ALA A 38 -3.715 94.212 13.874 1.00 0.00 ATOM 285 C ALA A 38 -3.051 94.099 12.814 1.00 0.00 ATOM 286 N SER A 39 -3.536 94.267 11.604 1.00 0.00 ATOM 287 CA SER A 39 -4.972 94.538 11.479 1.00 0.00 ATOM 288 CB SER A 39 -5.213 95.350 10.204 1.00 0.00 ATOM 289 OG SER A 39 -4.993 94.561 9.049 1.00 0.00 ATOM 290 O SER A 39 -5.222 92.110 11.652 1.00 0.00 ATOM 291 C SER A 39 -5.747 93.221 11.442 1.00 0.00 ATOM 292 N GLU A 40 -7.077 93.299 11.254 1.00 0.00 ATOM 293 CA GLU A 40 -7.882 92.088 11.340 1.00 0.00 ATOM 294 CB GLU A 40 -9.367 92.412 11.166 1.00 0.00 ATOM 295 CG GLU A 40 -9.989 93.128 12.352 1.00 0.00 ATOM 296 CD GLU A 40 -11.426 93.541 12.094 1.00 0.00 ATOM 297 OE1 GLU A 40 -11.909 93.334 10.961 1.00 0.00 ATOM 298 OE2 GLU A 40 -12.065 94.074 13.024 1.00 0.00 ATOM 299 O GLU A 40 -7.436 89.886 10.506 1.00 0.00 ATOM 300 C GLU A 40 -7.504 91.086 10.244 1.00 0.00 ATOM 301 N ASN A 41 -7.219 91.587 9.041 1.00 0.00 ATOM 302 CA ASN A 41 -6.813 90.652 7.978 1.00 0.00 ATOM 303 CB ASN A 41 -6.585 91.403 6.664 1.00 0.00 ATOM 304 CG ASN A 41 -7.882 91.859 6.020 1.00 0.00 ATOM 305 ND2 ASN A 41 -7.784 92.830 5.124 1.00 0.00 ATOM 306 OD1 ASN A 41 -8.952 91.337 6.330 1.00 0.00 ATOM 307 O ASN A 41 -5.469 88.648 8.296 1.00 0.00 ATOM 308 C ASN A 41 -5.540 89.883 8.385 1.00 0.00 ATOM 309 N LEU A 42 -4.489 90.608 8.843 1.00 0.00 ATOM 310 CA LEU A 42 -3.234 89.993 9.251 1.00 0.00 ATOM 311 CB LEU A 42 -2.207 91.120 9.574 1.00 0.00 ATOM 312 CG LEU A 42 -0.851 90.673 10.134 1.00 0.00 ATOM 313 CD1 LEU A 42 -0.135 89.770 9.143 1.00 0.00 ATOM 314 CD2 LEU A 42 -0.003 91.904 10.450 1.00 0.00 ATOM 315 O LEU A 42 -2.840 87.953 10.459 1.00 0.00 ATOM 316 C LEU A 42 -3.454 89.021 10.402 1.00 0.00 ATOM 317 N VAL A 43 -4.320 89.404 11.321 1.00 0.00 ATOM 318 CA VAL A 43 -4.655 88.557 12.458 1.00 0.00 ATOM 319 CB VAL A 43 -5.690 89.223 13.384 1.00 0.00 ATOM 320 CG1 VAL A 43 -6.055 88.291 14.532 1.00 0.00 ATOM 321 CG2 VAL A 43 -5.129 90.510 13.971 1.00 0.00 ATOM 322 O VAL A 43 -5.183 86.230 12.727 1.00 0.00 ATOM 323 C VAL A 43 -5.286 87.240 12.024 1.00 0.00 ATOM 324 N MET A 44 -5.978 87.200 10.807 1.00 0.00 ATOM 325 CA MET A 44 -6.576 85.968 10.295 1.00 0.00 ATOM 326 CB MET A 44 -7.453 86.227 9.070 1.00 0.00 ATOM 327 CG MET A 44 -8.836 86.757 9.460 1.00 0.00 ATOM 328 SD MET A 44 -9.935 87.119 8.039 1.00 0.00 ATOM 329 CE MET A 44 -11.066 88.295 8.803 1.00 0.00 ATOM 330 O MET A 44 -5.650 83.734 10.102 1.00 0.00 ATOM 331 C MET A 44 -5.451 84.954 10.029 1.00 0.00 ATOM 332 N THR A 45 -4.233 85.498 9.718 1.00 0.00 ATOM 333 CA THR A 45 -3.060 84.676 9.445 1.00 0.00 ATOM 334 CB THR A 45 -2.091 85.279 8.413 1.00 0.00 ATOM 335 CG2 THR A 45 -2.804 85.590 7.079 1.00 0.00 ATOM 336 OG1 THR A 45 -1.482 86.483 8.882 1.00 0.00 ATOM 337 O THR A 45 -1.273 83.713 10.696 1.00 0.00 ATOM 338 C THR A 45 -2.306 84.412 10.731 1.00 0.00 ATOM 339 N TRP A 46 -2.740 84.986 11.837 1.00 0.00 ATOM 340 CA TRP A 46 -2.144 84.766 13.145 1.00 0.00 ATOM 341 CB TRP A 46 -1.981 86.075 13.923 1.00 0.00 ATOM 342 CG TRP A 46 -0.960 86.998 13.341 1.00 0.00 ATOM 343 CD1 TRP A 46 -0.105 86.732 12.309 1.00 0.00 ATOM 344 CD2 TRP A 46 -0.685 88.344 13.751 1.00 0.00 ATOM 345 CE2 TRP A 46 0.350 88.829 12.924 1.00 0.00 ATOM 346 CE3 TRP A 46 -1.209 89.184 14.736 1.00 0.00 ATOM 347 NE1 TRP A 46 0.686 87.824 12.053 1.00 0.00 ATOM 348 CZ2 TRP A 46 0.868 90.116 13.055 1.00 0.00 ATOM 349 CZ3 TRP A 46 -0.693 90.458 14.861 1.00 0.00 ATOM 350 CH2 TRP A 46 0.333 90.914 14.027 1.00 0.00 ATOM 351 O TRP A 46 -2.612 83.539 15.135 1.00 0.00 ATOM 352 C TRP A 46 -3.038 83.960 14.066 1.00 0.00 ATOM 353 N ILE A 47 -4.257 83.701 13.723 1.00 0.00 ATOM 354 CA ILE A 47 -5.179 82.936 14.547 1.00 0.00 ATOM 355 CB ILE A 47 -6.628 83.046 14.058 1.00 0.00 ATOM 356 CG1 ILE A 47 -7.107 84.493 13.976 1.00 0.00 ATOM 357 CG2 ILE A 47 -7.581 82.201 14.887 1.00 0.00 ATOM 358 CD1 ILE A 47 -7.080 85.293 15.264 1.00 0.00 ATOM 359 O ILE A 47 -4.621 80.859 13.394 1.00 0.00 ATOM 360 C ILE A 47 -4.750 81.473 14.480 1.00 0.00 ATOM 361 N GLY A 48 -4.531 80.869 15.639 1.00 0.00 ATOM 362 CA GLY A 48 -4.212 79.455 15.724 1.00 0.00 ATOM 363 O GLY A 48 -2.262 78.108 15.938 1.00 0.00 ATOM 364 C GLY A 48 -2.712 79.221 15.677 1.00 0.00 ATOM 365 N ASN A 49 -1.897 80.239 15.329 1.00 0.00 ATOM 366 CA ASN A 49 -0.446 80.078 15.203 1.00 0.00 ATOM 367 CB ASN A 49 0.094 81.293 14.438 1.00 0.00 ATOM 368 CG ASN A 49 0.219 81.059 12.956 1.00 0.00 ATOM 369 ND2 ASN A 49 -0.552 81.821 12.167 1.00 0.00 ATOM 370 OD1 ASN A 49 1.028 80.241 12.513 1.00 0.00 ATOM 371 O ASN A 49 -0.489 80.737 17.519 1.00 0.00 ATOM 372 C ASN A 49 0.126 80.173 16.614 1.00 0.00 ATOM 373 N GLY A 50 1.379 79.577 16.773 1.00 0.00 ATOM 374 CA GLY A 50 2.049 79.575 18.078 1.00 0.00 ATOM 375 O GLY A 50 2.435 81.925 17.659 1.00 0.00 ATOM 376 C GLY A 50 2.503 80.978 18.459 1.00 0.00 ATOM 377 N ALA A 51 2.968 81.140 19.694 1.00 0.00 ATOM 378 CA ALA A 51 3.424 82.461 20.120 1.00 0.00 ATOM 379 CB ALA A 51 3.771 82.432 21.583 1.00 0.00 ATOM 380 O ALA A 51 4.610 84.066 18.834 1.00 0.00 ATOM 381 C ALA A 51 4.637 82.948 19.327 1.00 0.00 ATOM 382 N ASP A 52 5.668 82.092 19.211 1.00 0.00 ATOM 383 CA ASP A 52 6.879 82.475 18.456 1.00 0.00 ATOM 384 CB ASP A 52 7.965 81.416 18.652 1.00 0.00 ATOM 385 CG ASP A 52 8.554 81.436 20.048 1.00 0.00 ATOM 386 OD1 ASP A 52 8.307 82.414 20.784 1.00 0.00 ATOM 387 OD2 ASP A 52 9.262 80.472 20.406 1.00 0.00 ATOM 388 O ASP A 52 7.073 83.553 16.344 1.00 0.00 ATOM 389 C ASP A 52 6.593 82.623 16.974 1.00 0.00 ATOM 390 N VAL A 53 5.782 81.732 16.421 1.00 0.00 ATOM 391 CA VAL A 53 5.426 81.827 15.011 1.00 0.00 ATOM 392 CB VAL A 53 4.609 80.614 14.525 1.00 0.00 ATOM 393 CG1 VAL A 53 4.176 80.810 13.078 1.00 0.00 ATOM 394 CG2 VAL A 53 5.440 79.344 14.611 1.00 0.00 ATOM 395 O VAL A 53 4.860 83.751 13.699 1.00 0.00 ATOM 396 C VAL A 53 4.643 83.105 14.728 1.00 0.00 ATOM 397 N LEU A 54 3.739 83.480 15.638 1.00 0.00 ATOM 398 CA LEU A 54 2.982 84.703 15.475 1.00 0.00 ATOM 399 CB LEU A 54 1.994 84.840 16.577 1.00 0.00 ATOM 400 CG LEU A 54 0.857 83.838 16.576 1.00 0.00 ATOM 401 CD1 LEU A 54 -0.088 84.143 17.769 1.00 0.00 ATOM 402 CD2 LEU A 54 0.130 83.796 15.251 1.00 0.00 ATOM 403 O LEU A 54 3.751 86.789 14.596 1.00 0.00 ATOM 404 C LEU A 54 3.909 85.913 15.462 1.00 0.00 ATOM 405 N SER A 55 4.842 85.913 16.440 1.00 0.00 ATOM 406 CA SER A 55 5.772 87.055 16.471 1.00 0.00 ATOM 407 CB SER A 55 6.759 86.911 17.632 1.00 0.00 ATOM 408 OG SER A 55 6.095 87.017 18.881 1.00 0.00 ATOM 409 O SER A 55 6.844 88.245 14.688 1.00 0.00 ATOM 410 C SER A 55 6.616 87.150 15.203 1.00 0.00 ATOM 411 N GLN A 56 7.052 86.013 14.685 1.00 0.00 ATOM 412 CA GLN A 56 7.859 86.034 13.475 1.00 0.00 ATOM 413 CB GLN A 56 8.497 84.676 13.169 1.00 0.00 ATOM 414 CG GLN A 56 9.559 84.248 14.166 1.00 0.00 ATOM 415 CD GLN A 56 10.124 82.875 13.864 1.00 0.00 ATOM 416 OE1 GLN A 56 9.693 82.209 12.920 1.00 0.00 ATOM 417 NE2 GLN A 56 11.092 82.444 14.663 1.00 0.00 ATOM 418 O GLN A 56 7.608 87.140 11.366 1.00 0.00 ATOM 419 C GLN A 56 7.067 86.477 12.250 1.00 0.00 ATOM 420 N ARG A 57 5.774 86.102 12.158 1.00 0.00 ATOM 421 CA ARG A 57 4.928 86.510 11.039 1.00 0.00 ATOM 422 CB ARG A 57 3.528 85.897 11.135 1.00 0.00 ATOM 423 CG ARG A 57 3.487 84.401 10.872 1.00 0.00 ATOM 424 CD ARG A 57 2.066 83.865 10.944 1.00 0.00 ATOM 425 NE ARG A 57 2.019 82.415 10.790 1.00 0.00 ATOM 426 CZ ARG A 57 2.071 81.784 9.621 1.00 0.00 ATOM 427 NH1 ARG A 57 2.023 80.458 9.579 1.00 0.00 ATOM 428 NH2 ARG A 57 2.173 82.480 8.499 1.00 0.00 ATOM 429 O ARG A 57 4.947 88.696 10.064 1.00 0.00 ATOM 430 C ARG A 57 4.843 88.038 11.091 1.00 0.00 ATOM 431 N ALA A 58 4.692 88.617 12.277 1.00 0.00 ATOM 432 CA ALA A 58 4.645 90.097 12.430 1.00 0.00 ATOM 433 CB ALA A 58 4.314 90.467 13.839 1.00 0.00 ATOM 434 O ALA A 58 6.047 91.741 11.362 1.00 0.00 ATOM 435 C ALA A 58 5.995 90.728 12.072 1.00 0.00 ATOM 436 N VAL A 59 7.096 90.170 12.577 1.00 0.00 ATOM 437 CA VAL A 59 8.428 90.662 12.259 1.00 0.00 ATOM 438 CB VAL A 59 9.544 89.934 13.031 1.00 0.00 ATOM 439 CG1 VAL A 59 10.911 90.406 12.563 1.00 0.00 ATOM 440 CG2 VAL A 59 9.426 90.208 14.523 1.00 0.00 ATOM 441 O VAL A 59 9.474 91.361 10.215 1.00 0.00 ATOM 442 C VAL A 59 8.728 90.544 10.777 1.00 0.00 ATOM 443 N ASP A 60 8.155 89.582 10.080 1.00 0.00 ATOM 444 CA ASP A 60 8.321 89.467 8.631 1.00 0.00 ATOM 445 CB ASP A 60 7.536 88.267 8.093 1.00 0.00 ATOM 446 CG ASP A 60 8.163 86.944 8.480 1.00 0.00 ATOM 447 OD1 ASP A 60 9.314 86.947 8.962 1.00 0.00 ATOM 448 OD2 ASP A 60 7.503 85.897 8.298 1.00 0.00 ATOM 449 O ASP A 60 8.484 91.091 6.855 1.00 0.00 ATOM 450 C ASP A 60 7.938 90.761 7.912 1.00 0.00 ATOM 451 N TRP A 61 6.953 91.509 8.492 1.00 0.00 ATOM 452 CA TRP A 61 6.513 92.788 7.935 1.00 0.00 ATOM 453 CB TRP A 61 5.457 93.434 8.787 1.00 0.00 ATOM 454 CG TRP A 61 4.929 94.715 8.204 1.00 0.00 ATOM 455 CD1 TRP A 61 3.821 94.855 7.408 1.00 0.00 ATOM 456 CD2 TRP A 61 5.425 96.034 8.375 1.00 0.00 ATOM 457 CE2 TRP A 61 4.593 96.908 7.646 1.00 0.00 ATOM 458 CE3 TRP A 61 6.532 96.568 9.080 1.00 0.00 ATOM 459 NE1 TRP A 61 3.626 96.161 7.073 1.00 0.00 ATOM 460 CZ2 TRP A 61 4.836 98.279 7.607 1.00 0.00 ATOM 461 CZ3 TRP A 61 6.746 97.926 9.027 1.00 0.00 ATOM 462 CH2 TRP A 61 5.897 98.772 8.289 1.00 0.00 ATOM 463 O TRP A 61 7.761 94.525 6.790 1.00 0.00 ATOM 464 C TRP A 61 7.695 93.749 7.777 1.00 0.00 ATOM 465 N ALA A 62 8.668 93.706 8.755 1.00 0.00 ATOM 466 CA ALA A 62 9.756 94.689 8.834 1.00 0.00 ATOM 467 CB ALA A 62 10.088 94.869 10.309 1.00 0.00 ATOM 468 O ALA A 62 11.292 93.070 7.811 1.00 0.00 ATOM 469 C ALA A 62 10.944 94.220 8.003 1.00 0.00 ATOM 470 N CYS A 63 11.124 95.266 7.027 1.00 0.00 ATOM 471 CA CYS A 63 12.281 95.176 6.181 1.00 0.00 ATOM 472 CB CYS A 63 12.421 96.422 5.305 1.00 0.00 ATOM 473 SG CYS A 63 11.064 96.647 4.123 1.00 0.00 ATOM 474 O CYS A 63 14.448 94.175 6.543 1.00 0.00 ATOM 475 C CYS A 63 13.531 94.871 6.983 1.00 0.00 ATOM 476 N THR A 64 13.566 95.370 8.199 1.00 0.00 ATOM 477 CA THR A 64 14.683 95.256 9.116 1.00 0.00 ATOM 478 CB THR A 64 14.955 96.585 9.858 1.00 0.00 ATOM 479 CG2 THR A 64 15.297 97.696 8.921 1.00 0.00 ATOM 480 OG1 THR A 64 13.754 96.997 10.527 1.00 0.00 ATOM 481 O THR A 64 13.362 93.681 10.319 1.00 0.00 ATOM 482 C THR A 64 14.511 94.125 10.092 1.00 0.00 ATOM 483 N GLN A 65 15.550 93.603 10.708 1.00 0.00 ATOM 484 CA GLN A 65 15.427 92.527 11.690 1.00 0.00 ATOM 485 CB GLN A 65 16.573 91.522 11.553 1.00 0.00 ATOM 486 CG GLN A 65 16.623 90.817 10.210 1.00 0.00 ATOM 487 CD GLN A 65 15.392 89.973 9.947 1.00 0.00 ATOM 488 OE1 GLN A 65 15.019 89.130 10.763 1.00 0.00 ATOM 489 NE2 GLN A 65 14.755 90.197 8.804 1.00 0.00 ATOM 490 O GLN A 65 16.258 94.035 13.360 1.00 0.00 ATOM 491 C GLN A 65 15.508 93.097 13.097 1.00 0.00 ATOM 492 N ALA A 66 14.790 92.499 14.054 1.00 0.00 ATOM 493 CA ALA A 66 14.971 92.753 15.479 1.00 0.00 ATOM 494 CB ALA A 66 13.691 92.428 16.235 1.00 0.00 ATOM 495 O ALA A 66 16.463 90.825 15.380 1.00 0.00 ATOM 496 C ALA A 66 16.127 91.874 16.008 1.00 0.00 ATOM 497 N GLU A 67 16.757 92.308 17.197 1.00 0.00 ATOM 498 CA GLU A 67 17.850 91.571 17.811 1.00 0.00 ATOM 499 CB GLU A 67 18.542 92.320 18.968 1.00 0.00 ATOM 500 CG GLU A 67 18.990 93.745 18.640 1.00 0.00 ATOM 501 CD GLU A 67 20.194 93.804 17.703 1.00 0.00 ATOM 502 OE1 GLU A 67 20.735 92.734 17.293 1.00 0.00 ATOM 503 OE2 GLU A 67 20.587 94.955 17.392 1.00 0.00 ATOM 504 O GLU A 67 16.110 90.185 18.765 1.00 0.00 ATOM 505 C GLU A 67 17.316 90.356 18.542 1.00 0.00 ATOM 506 N LYS A 68 18.179 89.372 18.800 1.00 0.00 ATOM 507 CA LYS A 68 17.748 88.215 19.570 1.00 0.00 ATOM 508 CB LYS A 68 18.916 87.253 19.792 1.00 0.00 ATOM 509 CG LYS A 68 19.375 86.533 18.535 1.00 0.00 ATOM 510 CD LYS A 68 20.532 85.593 18.826 1.00 0.00 ATOM 511 CE LYS A 68 21.006 84.890 17.564 1.00 0.00 ATOM 512 NZ LYS A 68 22.162 83.991 17.830 1.00 0.00 ATOM 513 O LYS A 68 16.244 88.032 21.425 1.00 0.00 ATOM 514 C LYS A 68 17.213 88.613 20.942 1.00 0.00 ATOM 515 N GLU A 69 17.832 89.600 21.546 1.00 0.00 ATOM 516 CA GLU A 69 17.346 90.111 22.842 1.00 0.00 ATOM 517 CB GLU A 69 18.186 91.237 23.341 1.00 0.00 ATOM 518 CG GLU A 69 19.602 90.777 23.745 1.00 0.00 ATOM 519 CD GLU A 69 20.616 90.692 22.581 1.00 0.00 ATOM 520 OE1 GLU A 69 20.268 90.736 21.374 1.00 0.00 ATOM 521 OE2 GLU A 69 21.817 90.570 22.907 1.00 0.00 ATOM 522 O GLU A 69 15.051 90.308 23.538 1.00 0.00 ATOM 523 C GLU A 69 15.913 90.633 22.719 1.00 0.00 ATOM 524 N LEU A 70 15.652 91.429 21.690 1.00 0.00 ATOM 525 CA LEU A 70 14.317 91.982 21.485 1.00 0.00 ATOM 526 CB LEU A 70 14.279 93.006 20.348 1.00 0.00 ATOM 527 CG LEU A 70 15.022 94.322 20.596 1.00 0.00 ATOM 528 CD1 LEU A 70 15.055 95.165 19.331 1.00 0.00 ATOM 529 CD2 LEU A 70 14.337 95.128 21.688 1.00 0.00 ATOM 530 O LEU A 70 12.125 90.989 21.556 1.00 0.00 ATOM 531 C LEU A 70 13.299 90.885 21.177 1.00 0.00 ATOM 532 N THR A 71 13.714 89.886 20.379 1.00 0.00 ATOM 533 CA THR A 71 12.822 88.796 20.001 1.00 0.00 ATOM 534 CB THR A 71 13.534 87.802 19.133 1.00 0.00 ATOM 535 CG2 THR A 71 12.624 86.632 18.777 1.00 0.00 ATOM 536 OG1 THR A 71 13.844 88.415 17.872 1.00 0.00 ATOM 537 O THR A 71 11.129 87.883 21.448 1.00 0.00 ATOM 538 C THR A 71 12.327 88.108 21.280 1.00 0.00 ATOM 539 N GLU A 72 13.247 87.796 22.186 1.00 0.00 ATOM 540 CA GLU A 72 12.856 87.148 23.436 1.00 0.00 ATOM 541 CB GLU A 72 14.097 86.840 24.278 1.00 0.00 ATOM 542 CG GLU A 72 14.942 85.697 23.739 1.00 0.00 ATOM 543 CD GLU A 72 16.222 85.499 24.525 1.00 0.00 ATOM 544 OE1 GLU A 72 16.485 86.304 25.445 1.00 0.00 ATOM 545 OE2 GLU A 72 16.964 84.542 24.224 1.00 0.00 ATOM 546 O GLU A 72 10.952 87.595 24.818 1.00 0.00 ATOM 547 C GLU A 72 11.929 88.057 24.242 1.00 0.00 ATOM 548 N ASP A 73 12.256 89.336 24.273 1.00 0.00 ATOM 549 CA ASP A 73 11.472 90.286 25.061 1.00 0.00 ATOM 550 CB ASP A 73 12.087 91.687 25.012 1.00 0.00 ATOM 551 CG ASP A 73 13.363 91.793 25.823 1.00 0.00 ATOM 552 OD1 ASP A 73 13.646 90.862 26.609 1.00 0.00 ATOM 553 OD2 ASP A 73 14.082 92.802 25.675 1.00 0.00 ATOM 554 O ASP A 73 9.094 90.470 25.308 1.00 0.00 ATOM 555 C ASP A 73 10.048 90.416 24.534 1.00 0.00 ATOM 556 N GLU A 74 9.912 90.459 23.219 1.00 0.00 ATOM 557 CA GLU A 74 8.594 90.579 22.614 1.00 0.00 ATOM 558 CB GLU A 74 8.590 90.728 21.100 1.00 0.00 ATOM 559 CG GLU A 74 8.268 89.447 20.340 1.00 0.00 ATOM 560 CD GLU A 74 8.162 89.534 18.829 1.00 0.00 ATOM 561 OE1 GLU A 74 9.207 89.545 18.120 1.00 0.00 ATOM 562 OE2 GLU A 74 7.018 89.571 18.299 1.00 0.00 ATOM 563 O GLU A 74 6.548 89.501 23.260 1.00 0.00 ATOM 564 C GLU A 74 7.735 89.372 22.949 1.00 0.00 ATOM 565 N PHE A 75 8.309 88.197 22.902 1.00 0.00 ATOM 566 CA PHE A 75 7.587 86.979 23.233 1.00 0.00 ATOM 567 CB PHE A 75 8.615 85.747 23.096 1.00 0.00 ATOM 568 CG PHE A 75 7.995 84.462 23.613 1.00 0.00 ATOM 569 CD1 PHE A 75 6.676 84.112 23.293 1.00 0.00 ATOM 570 CD2 PHE A 75 8.688 83.616 24.478 1.00 0.00 ATOM 571 CE1 PHE A 75 6.038 82.965 23.772 1.00 0.00 ATOM 572 CE2 PHE A 75 8.078 82.453 24.950 1.00 0.00 ATOM 573 CZ PHE A 75 6.764 82.121 24.611 1.00 0.00 ATOM 574 O PHE A 75 5.938 86.773 25.001 1.00 0.00 ATOM 575 C PHE A 75 7.100 87.065 24.670 1.00 0.00 ATOM 576 N LYS A 76 7.991 87.394 25.565 1.00 0.00 ATOM 577 CA LYS A 76 7.610 87.524 26.973 1.00 0.00 ATOM 578 CB LYS A 76 8.825 87.881 27.833 1.00 0.00 ATOM 579 CG LYS A 76 9.843 86.756 27.962 1.00 0.00 ATOM 580 CD LYS A 76 11.018 87.174 28.830 1.00 0.00 ATOM 581 CE LYS A 76 12.053 86.065 28.931 1.00 0.00 ATOM 582 NZ LYS A 76 13.222 86.469 29.758 1.00 0.00 ATOM 583 O LYS A 76 5.650 88.398 28.035 1.00 0.00 ATOM 584 C LYS A 76 6.553 88.587 27.220 1.00 0.00 ATOM 585 N TYR A 77 6.654 89.735 26.508 1.00 0.00 ATOM 586 CA TYR A 77 5.691 90.832 26.608 1.00 0.00 ATOM 587 CB TYR A 77 6.101 91.969 25.668 1.00 0.00 ATOM 588 CG TYR A 77 5.158 93.153 25.694 1.00 0.00 ATOM 589 CD1 TYR A 77 5.226 94.092 26.714 1.00 0.00 ATOM 590 CD2 TYR A 77 4.205 93.325 24.697 1.00 0.00 ATOM 591 CE1 TYR A 77 4.368 95.178 26.746 1.00 0.00 ATOM 592 CE2 TYR A 77 3.342 94.403 24.712 1.00 0.00 ATOM 593 CZ TYR A 77 3.431 95.331 25.746 1.00 0.00 ATOM 594 OH TYR A 77 2.576 96.411 25.777 1.00 0.00 ATOM 595 O TYR A 77 3.328 90.570 26.978 1.00 0.00 ATOM 596 C TYR A 77 4.293 90.341 26.246 1.00 0.00 ATOM 597 N PHE A 78 4.217 89.675 25.118 1.00 0.00 ATOM 598 CA PHE A 78 2.934 89.155 24.666 1.00 0.00 ATOM 599 CB PHE A 78 3.105 88.500 23.245 1.00 0.00 ATOM 600 CG PHE A 78 1.972 87.576 22.843 1.00 0.00 ATOM 601 CD1 PHE A 78 0.690 88.057 22.623 1.00 0.00 ATOM 602 CD2 PHE A 78 2.185 86.215 22.712 1.00 0.00 ATOM 603 CE1 PHE A 78 -0.346 87.194 22.296 1.00 0.00 ATOM 604 CE2 PHE A 78 1.171 85.346 22.363 1.00 0.00 ATOM 605 CZ PHE A 78 -0.106 85.845 22.167 1.00 0.00 ATOM 606 O PHE A 78 1.132 88.182 25.926 1.00 0.00 ATOM 607 C PHE A 78 2.332 88.139 25.639 1.00 0.00 ATOM 608 N LYS A 79 3.156 87.225 26.124 1.00 0.00 ATOM 609 CA LYS A 79 2.721 86.184 27.061 1.00 0.00 ATOM 610 CB LYS A 79 3.813 85.162 27.386 1.00 0.00 ATOM 611 CG LYS A 79 3.352 84.035 28.298 1.00 0.00 ATOM 612 CD LYS A 79 4.463 83.017 28.516 1.00 0.00 ATOM 613 CE LYS A 79 4.012 81.905 29.451 1.00 0.00 ATOM 614 NZ LYS A 79 5.093 80.907 29.685 1.00 0.00 ATOM 615 O LYS A 79 1.170 86.372 28.884 1.00 0.00 ATOM 616 C LYS A 79 2.205 86.786 28.367 1.00 0.00 ATOM 617 N ARG A 80 2.946 87.764 28.909 1.00 0.00 ATOM 618 CA ARG A 80 2.541 88.419 30.147 1.00 0.00 ATOM 619 CB ARG A 80 3.608 89.490 30.508 1.00 0.00 ATOM 620 CG ARG A 80 4.964 88.849 30.787 1.00 0.00 ATOM 621 CD ARG A 80 5.913 89.612 31.641 1.00 0.00 ATOM 622 NE ARG A 80 6.234 90.942 31.106 1.00 0.00 ATOM 623 CZ ARG A 80 7.143 91.216 30.171 1.00 0.00 ATOM 624 NH1 ARG A 80 7.874 90.268 29.625 1.00 0.00 ATOM 625 NH2 ARG A 80 7.310 92.499 29.796 1.00 0.00 ATOM 626 O ARG A 80 0.331 88.992 30.855 1.00 0.00 ATOM 627 C ARG A 80 1.188 89.096 29.967 1.00 0.00 ATOM 628 N GLN A 81 0.949 89.735 28.832 1.00 0.00 ATOM 629 CA GLN A 81 -0.351 90.385 28.543 1.00 0.00 ATOM 630 CB GLN A 81 -0.284 91.164 27.228 1.00 0.00 ATOM 631 CG GLN A 81 0.642 92.368 27.269 1.00 0.00 ATOM 632 CD GLN A 81 0.219 93.393 28.305 1.00 0.00 ATOM 633 OE1 GLN A 81 -0.956 93.745 28.402 1.00 0.00 ATOM 634 NE2 GLN A 81 1.179 93.876 29.085 1.00 0.00 ATOM 635 O GLN A 81 -2.586 89.568 28.834 1.00 0.00 ATOM 636 C GLN A 81 -1.490 89.392 28.311 1.00 0.00 ATOM 637 N PHE A 82 -1.199 88.409 27.535 1.00 0.00 ATOM 638 CA PHE A 82 -2.202 87.390 27.243 1.00 0.00 ATOM 639 CB PHE A 82 -1.506 86.320 26.355 1.00 0.00 ATOM 640 CG PHE A 82 -2.539 85.192 26.132 1.00 0.00 ATOM 641 CD1 PHE A 82 -3.664 85.464 25.387 1.00 0.00 ATOM 642 CD2 PHE A 82 -2.293 83.948 26.626 1.00 0.00 ATOM 643 CE1 PHE A 82 -4.626 84.472 25.147 1.00 0.00 ATOM 644 CE2 PHE A 82 -3.265 82.946 26.416 1.00 0.00 ATOM 645 CZ PHE A 82 -4.406 83.231 25.680 1.00 0.00 ATOM 646 O PHE A 82 -3.788 86.444 28.725 1.00 0.00 ATOM 647 C PHE A 82 -2.609 86.696 28.524 1.00 0.00 ATOM 648 N GLY A 83 -1.606 86.373 29.396 1.00 0.00 ATOM 649 CA GLY A 83 -1.901 85.702 30.666 1.00 0.00 ATOM 650 O GLY A 83 -3.682 86.104 32.199 1.00 0.00 ATOM 651 C GLY A 83 -2.751 86.607 31.559 1.00 0.00 ATOM 652 N PHE A 84 -2.465 87.901 31.618 1.00 0.00 ATOM 653 CA PHE A 84 -3.304 88.847 32.358 1.00 0.00 ATOM 654 CB PHE A 84 -2.808 90.275 32.287 1.00 0.00 ATOM 655 CG PHE A 84 -3.710 91.269 32.968 1.00 0.00 ATOM 656 CD1 PHE A 84 -3.728 91.377 34.357 1.00 0.00 ATOM 657 CD2 PHE A 84 -4.549 92.086 32.222 1.00 0.00 ATOM 658 CE1 PHE A 84 -4.575 92.288 34.992 1.00 0.00 ATOM 659 CE2 PHE A 84 -5.401 93.000 32.836 1.00 0.00 ATOM 660 CZ PHE A 84 -5.417 93.102 34.228 1.00 0.00 ATOM 661 O PHE A 84 -5.691 88.601 32.698 1.00 0.00 ATOM 662 C PHE A 84 -4.776 88.831 31.899 1.00 0.00 ATOM 663 N TYR A 85 -4.977 89.009 30.626 1.00 0.00 ATOM 664 CA TYR A 85 -6.331 89.010 30.077 1.00 0.00 ATOM 665 CB TYR A 85 -6.361 89.470 28.617 1.00 0.00 ATOM 666 CG TYR A 85 -6.105 90.950 28.436 1.00 0.00 ATOM 667 CD1 TYR A 85 -4.865 91.409 28.016 1.00 0.00 ATOM 668 CD2 TYR A 85 -7.104 91.881 28.689 1.00 0.00 ATOM 669 CE1 TYR A 85 -4.623 92.760 27.846 1.00 0.00 ATOM 670 CE2 TYR A 85 -6.880 93.235 28.527 1.00 0.00 ATOM 671 CZ TYR A 85 -5.627 93.669 28.101 1.00 0.00 ATOM 672 OH TYR A 85 -5.385 95.015 27.933 1.00 0.00 ATOM 673 O TYR A 85 -8.129 87.417 30.311 1.00 0.00 ATOM 674 C TYR A 85 -6.917 87.583 30.122 1.00 0.00 ATOM 675 N TYR A 86 -6.089 86.588 29.816 1.00 0.00 ATOM 676 CA TYR A 86 -6.625 85.237 29.586 1.00 0.00 ATOM 677 CB TYR A 86 -5.566 84.310 29.020 1.00 0.00 ATOM 678 CG TYR A 86 -5.975 82.851 29.018 1.00 0.00 ATOM 679 CD1 TYR A 86 -6.987 82.389 28.176 1.00 0.00 ATOM 680 CD2 TYR A 86 -5.359 81.936 29.870 1.00 0.00 ATOM 681 CE1 TYR A 86 -7.374 81.049 28.182 1.00 0.00 ATOM 682 CE2 TYR A 86 -5.741 80.593 29.882 1.00 0.00 ATOM 683 CZ TYR A 86 -6.747 80.159 29.036 1.00 0.00 ATOM 684 OH TYR A 86 -7.122 78.835 29.032 1.00 0.00 ATOM 685 O TYR A 86 -8.277 84.131 30.961 1.00 0.00 ATOM 686 C TYR A 86 -7.131 84.606 30.887 1.00 0.00 ATOM 687 N GLY A 87 -6.301 84.673 31.924 1.00 0.00 ATOM 688 CA GLY A 87 -6.671 84.085 33.224 1.00 0.00 ATOM 689 O GLY A 87 -8.486 84.066 34.765 1.00 0.00 ATOM 690 C GLY A 87 -7.883 84.702 33.907 1.00 0.00 ATOM 691 N GLU A 88 -8.270 86.001 33.535 1.00 0.00 ATOM 692 CA GLU A 88 -9.405 86.681 34.159 1.00 0.00 ATOM 693 CB GLU A 88 -8.967 88.008 34.727 1.00 0.00 ATOM 694 CG GLU A 88 -8.057 87.851 35.942 1.00 0.00 ATOM 695 CD GLU A 88 -7.389 89.150 36.369 1.00 0.00 ATOM 696 OE1 GLU A 88 -7.835 90.248 35.958 1.00 0.00 ATOM 697 OE2 GLU A 88 -6.387 89.073 37.118 1.00 0.00 ATOM 698 O GLU A 88 -11.749 86.751 33.671 1.00 0.00 ATOM 699 C GLU A 88 -10.603 86.894 33.241 1.00 0.00 ATOM 700 N ASN A 89 -10.407 87.116 31.980 1.00 0.00 ATOM 701 CA ASN A 89 -11.499 87.370 31.049 1.00 0.00 ATOM 702 CB ASN A 89 -11.455 88.814 30.632 1.00 0.00 ATOM 703 CG ASN A 89 -11.825 89.746 31.784 1.00 0.00 ATOM 704 ND2 ASN A 89 -11.223 90.936 31.800 1.00 0.00 ATOM 705 OD1 ASN A 89 -12.649 89.405 32.644 1.00 0.00 ATOM 706 O ASN A 89 -12.782 86.277 29.343 1.00 0.00 ATOM 707 C ASN A 89 -11.663 86.591 29.744 1.00 0.00 ATOM 708 N LEU A 90 -10.459 86.383 29.064 1.00 0.00 ATOM 709 CA LEU A 90 -10.481 85.666 27.792 1.00 0.00 ATOM 710 CB LEU A 90 -9.070 85.579 27.209 1.00 0.00 ATOM 711 CG LEU A 90 -8.568 86.891 26.596 1.00 0.00 ATOM 712 CD1 LEU A 90 -7.097 86.768 26.244 1.00 0.00 ATOM 713 CD2 LEU A 90 -9.393 87.219 25.349 1.00 0.00 ATOM 714 O LEU A 90 -11.792 83.771 27.065 1.00 0.00 ATOM 715 C LEU A 90 -11.018 84.258 27.930 1.00 0.00 ATOM 716 N CYS A 91 -10.652 83.524 28.995 1.00 0.00 ATOM 717 CA CYS A 91 -11.121 82.157 29.222 1.00 0.00 ATOM 718 CB CYS A 91 -10.175 81.501 30.312 1.00 0.00 ATOM 719 SG CYS A 91 -10.432 79.715 30.517 1.00 0.00 ATOM 720 O CYS A 91 -13.287 81.091 29.068 1.00 0.00 ATOM 721 C CYS A 91 -12.668 82.142 29.368 1.00 0.00 ATOM 722 N ASN A 92 -13.198 83.235 29.926 1.00 0.00 ATOM 723 CA ASN A 92 -14.643 83.321 30.131 1.00 0.00 ATOM 724 CB ASN A 92 -15.005 84.195 31.354 1.00 0.00 ATOM 725 CG ASN A 92 -14.568 83.582 32.683 1.00 0.00 ATOM 726 ND2 ASN A 92 -13.976 84.405 33.546 1.00 0.00 ATOM 727 OD1 ASN A 92 -14.772 82.395 32.939 1.00 0.00 ATOM 728 O ASN A 92 -16.369 83.506 28.476 1.00 0.00 ATOM 729 C ASN A 92 -15.303 83.930 28.891 1.00 0.00 ATOM 730 N ILE A 93 -14.689 84.952 28.317 1.00 0.00 ATOM 731 CA ILE A 93 -15.271 85.584 27.141 1.00 0.00 ATOM 732 CB ILE A 93 -14.449 86.838 26.705 1.00 0.00 ATOM 733 CG1 ILE A 93 -14.645 87.989 27.706 1.00 0.00 ATOM 734 CG2 ILE A 93 -14.850 87.302 25.310 1.00 0.00 ATOM 735 CD1 ILE A 93 -13.534 89.045 27.668 1.00 0.00 ATOM 736 O ILE A 93 -16.317 84.707 25.171 1.00 0.00 ATOM 737 C ILE A 93 -15.393 84.601 25.973 1.00 0.00 ATOM 738 N SER A 94 -14.462 83.655 25.872 1.00 0.00 ATOM 739 CA SER A 94 -14.497 82.682 24.778 1.00 0.00 ATOM 740 CB SER A 94 -13.310 81.805 24.703 1.00 0.00 ATOM 741 OG SER A 94 -13.014 81.228 25.934 1.00 0.00 ATOM 742 O SER A 94 -16.103 81.047 24.024 1.00 0.00 ATOM 743 C SER A 94 -15.670 81.721 24.957 1.00 0.00 ATOM 744 N ARG A 95 -16.981 83.087 24.298 1.00 0.00 ATOM 745 CA ARG A 95 -18.293 82.458 24.319 1.00 0.00 ATOM 746 CB ARG A 95 -19.367 83.515 24.220 1.00 0.00 ATOM 747 CG ARG A 95 -19.433 84.387 25.487 1.00 0.00 ATOM 748 CD ARG A 95 -20.746 85.137 25.664 1.00 0.00 ATOM 749 NE ARG A 95 -21.881 84.215 25.772 1.00 0.00 ATOM 750 CZ ARG A 95 -22.297 83.641 26.898 1.00 0.00 ATOM 751 NH1 ARG A 95 -21.672 83.852 28.055 1.00 0.00 ATOM 752 NH2 ARG A 95 -23.345 82.828 26.861 1.00 0.00 ATOM 753 O ARG A 95 -17.898 81.896 22.023 1.00 0.00 ATOM 754 C ARG A 95 -18.471 81.602 23.075 1.00 0.00 ATOM 755 N LEU A 96 -19.320 80.580 23.170 1.00 0.00 ATOM 756 CA LEU A 96 -19.562 79.678 22.054 1.00 0.00 ATOM 757 CB LEU A 96 -20.463 78.500 22.447 1.00 0.00 ATOM 758 CG LEU A 96 -19.832 77.494 23.418 1.00 0.00 ATOM 759 CD1 LEU A 96 -20.863 76.450 23.830 1.00 0.00 ATOM 760 CD2 LEU A 96 -18.631 76.834 22.760 1.00 0.00 ATOM 761 O LEU A 96 -21.003 81.394 21.219 1.00 0.00 ATOM 762 C LEU A 96 -20.196 80.493 20.946 1.00 0.00 ATOM 763 N TYR A 97 -19.884 80.033 19.664 1.00 0.00 ATOM 764 CA TYR A 97 -20.638 80.555 18.526 1.00 0.00 ATOM 765 CB TYR A 97 -20.369 80.459 17.272 1.00 0.00 ATOM 766 CG TYR A 97 -19.665 81.738 16.877 1.00 0.00 ATOM 767 CD1 TYR A 97 -20.004 82.963 17.451 1.00 0.00 ATOM 768 CD2 TYR A 97 -18.684 81.722 15.892 1.00 0.00 ATOM 769 CE1 TYR A 97 -19.377 84.142 17.048 1.00 0.00 ATOM 770 CE2 TYR A 97 -18.053 82.889 15.483 1.00 0.00 ATOM 771 CZ TYR A 97 -18.404 84.095 16.061 1.00 0.00 ATOM 772 OH TYR A 97 -17.783 85.248 15.651 1.00 0.00 ATOM 773 O TYR A 97 -22.326 78.970 19.183 1.00 0.00 ATOM 774 C TYR A 97 -22.077 80.009 18.574 1.00 0.00 ATOM 775 N PRO A 98 -23.032 80.722 17.949 1.00 0.00 ATOM 776 CA PRO A 98 -24.425 80.223 17.962 1.00 0.00 ATOM 777 CB PRO A 98 -25.135 81.197 17.051 1.00 0.00 ATOM 778 CG PRO A 98 -24.514 82.494 17.402 1.00 0.00 ATOM 779 CD PRO A 98 -23.040 82.169 17.457 1.00 0.00 ATOM 780 O PRO A 98 -23.803 78.526 16.417 1.00 0.00 ATOM 781 C PRO A 98 -24.515 78.826 17.349 1.00 0.00 ATOM 782 N ASN A 99 -25.426 77.975 17.863 1.00 0.00 ATOM 783 CA ASN A 99 -25.710 76.610 17.408 1.00 0.00 ATOM 784 CB ASN A 99 -26.068 76.638 15.934 1.00 0.00 ATOM 785 CG ASN A 99 -27.392 77.290 15.644 1.00 0.00 ATOM 786 ND2 ASN A 99 -27.525 77.789 14.442 1.00 0.00 ATOM 787 OD1 ASN A 99 -28.307 77.277 16.473 1.00 0.00 ATOM 788 O ASN A 99 -24.649 74.418 17.131 1.00 0.00 ATOM 789 C ASN A 99 -24.560 75.577 17.590 1.00 0.00 ATOM 790 N VAL A 100 -23.475 75.973 18.252 1.00 0.00 ATOM 791 CA VAL A 100 -22.368 75.028 18.451 1.00 0.00 ATOM 792 CB VAL A 100 -21.142 75.650 19.129 1.00 0.00 ATOM 793 CG1 VAL A 100 -21.415 76.034 20.565 1.00 0.00 ATOM 794 CG2 VAL A 100 -19.968 74.667 19.068 1.00 0.00 ATOM 795 O VAL A 100 -22.343 72.711 19.023 1.00 0.00 ATOM 796 C VAL A 100 -22.737 73.834 19.325 1.00 0.00 ATOM 797 N LYS A 101 -23.505 74.074 20.410 1.00 0.00 ATOM 798 CA LYS A 101 -23.975 72.999 21.290 1.00 0.00 ATOM 799 CB LYS A 101 -24.795 73.556 22.454 1.00 0.00 ATOM 800 CG LYS A 101 -25.294 72.502 23.434 1.00 0.00 ATOM 801 CD LYS A 101 -25.998 73.140 24.622 1.00 0.00 ATOM 802 CE LYS A 101 -26.518 72.087 25.590 1.00 0.00 ATOM 803 NZ LYS A 101 -27.199 72.697 26.763 1.00 0.00 ATOM 804 O LYS A 101 -24.699 70.799 20.678 1.00 0.00 ATOM 805 C LYS A 101 -24.830 72.011 20.504 1.00 0.00 ATOM 806 N GLU A 102 -25.713 72.534 19.612 1.00 0.00 ATOM 807 CA GLU A 102 -26.553 71.718 18.735 1.00 0.00 ATOM 808 CB GLU A 102 -27.380 72.664 17.868 1.00 0.00 ATOM 809 CG GLU A 102 -28.265 71.957 16.846 1.00 0.00 ATOM 810 CD GLU A 102 -29.081 72.888 15.973 1.00 0.00 ATOM 811 OE1 GLU A 102 -28.888 74.126 15.933 1.00 0.00 ATOM 812 OE2 GLU A 102 -29.975 72.391 15.235 1.00 0.00 ATOM 813 O GLU A 102 -25.934 69.642 17.680 1.00 0.00 ATOM 814 C GLU A 102 -25.699 70.844 17.817 1.00 0.00 ATOM 815 N THR A 103 -24.742 71.464 17.213 1.00 0.00 ATOM 816 CA THR A 103 -23.861 70.725 16.314 1.00 0.00 ATOM 817 CB THR A 103 -22.841 71.682 15.670 1.00 0.00 ATOM 818 CG2 THR A 103 -21.899 70.918 14.752 1.00 0.00 ATOM 819 OG1 THR A 103 -23.530 72.686 14.917 1.00 0.00 ATOM 820 O THR A 103 -23.062 68.473 16.558 1.00 0.00 ATOM 821 C THR A 103 -23.135 69.611 17.055 1.00 0.00 ATOM 822 N LEU A 104 -22.613 69.936 18.215 1.00 0.00 ATOM 823 CA LEU A 104 -21.863 68.945 19.002 1.00 0.00 ATOM 824 CB LEU A 104 -21.202 69.593 20.224 1.00 0.00 ATOM 825 CG LEU A 104 -20.018 70.518 19.912 1.00 0.00 ATOM 826 CD1 LEU A 104 -19.584 71.255 21.171 1.00 0.00 ATOM 827 CD2 LEU A 104 -18.867 69.700 19.343 1.00 0.00 ATOM 828 O LEU A 104 -22.333 66.621 19.362 1.00 0.00 ATOM 829 C LEU A 104 -22.738 67.773 19.482 1.00 0.00 ATOM 830 N GLU A 105 -23.907 68.075 20.037 1.00 0.00 ATOM 831 CA GLU A 105 -24.850 67.024 20.477 1.00 0.00 ATOM 832 CB GLU A 105 -26.163 67.543 20.900 1.00 0.00 ATOM 833 CG GLU A 105 -27.211 66.461 21.106 1.00 0.00 ATOM 834 CD GLU A 105 -28.388 66.937 21.935 1.00 0.00 ATOM 835 OE1 GLU A 105 -29.393 66.199 22.017 1.00 0.00 ATOM 836 OE2 GLU A 105 -28.306 68.041 22.512 1.00 0.00 ATOM 837 O GLU A 105 -25.076 64.854 19.453 1.00 0.00 ATOM 838 C GLU A 105 -25.132 66.081 19.314 1.00 0.00 ATOM 839 N ALA A 106 -25.391 66.649 18.135 1.00 0.00 ATOM 840 CA ALA A 106 -25.714 65.841 16.966 1.00 0.00 ATOM 841 CB ALA A 106 -26.167 66.696 15.894 1.00 0.00 ATOM 842 O ALA A 106 -24.727 63.793 16.171 1.00 0.00 ATOM 843 C ALA A 106 -24.554 64.990 16.461 1.00 0.00 ATOM 844 N LEU A 107 -23.364 65.599 16.327 1.00 0.00 ATOM 845 CA LEU A 107 -22.194 64.871 15.846 1.00 0.00 ATOM 846 CB LEU A 107 -20.996 65.819 15.736 1.00 0.00 ATOM 847 CG LEU A 107 -21.081 66.850 14.605 1.00 0.00 ATOM 848 CD1 LEU A 107 -19.897 67.808 14.679 1.00 0.00 ATOM 849 CD2 LEU A 107 -21.107 66.133 13.263 1.00 0.00 ATOM 850 O LEU A 107 -21.671 62.569 16.281 1.00 0.00 ATOM 851 C LEU A 107 -21.890 63.686 16.755 1.00 0.00 ATOM 852 N LYS A 108 -21.877 63.933 18.058 1.00 0.00 ATOM 853 CA LYS A 108 -21.643 62.878 19.035 1.00 0.00 ATOM 854 CB LYS A 108 -21.505 63.474 20.439 1.00 0.00 ATOM 855 CG LYS A 108 -21.162 62.457 21.521 1.00 0.00 ATOM 856 CD LYS A 108 -20.943 63.135 22.864 1.00 0.00 ATOM 857 CE LYS A 108 -20.626 62.120 23.952 1.00 0.00 ATOM 858 NZ LYS A 108 -20.428 62.769 25.278 1.00 0.00 ATOM 859 O LYS A 108 -22.501 60.637 19.181 1.00 0.00 ATOM 860 C LYS A 108 -22.762 61.836 19.057 1.00 0.00 ATOM 861 N ALA A 109 -23.996 62.300 18.946 1.00 0.00 ATOM 862 CA ALA A 109 -25.141 61.392 18.946 1.00 0.00 ATOM 863 CB ALA A 109 -26.437 62.184 18.947 1.00 0.00 ATOM 864 O ALA A 109 -25.664 59.383 17.740 1.00 0.00 ATOM 865 C ALA A 109 -25.076 60.464 17.737 1.00 0.00 ATOM 866 N GLN A 110 -24.357 60.893 16.706 1.00 0.00 ATOM 867 CA GLN A 110 -24.193 60.093 15.499 1.00 0.00 ATOM 868 CB GLN A 110 -23.678 60.962 14.349 1.00 0.00 ATOM 869 CG GLN A 110 -24.643 62.049 13.910 1.00 0.00 ATOM 870 CD GLN A 110 -25.955 61.485 13.394 1.00 0.00 ATOM 871 OE1 GLN A 110 -25.972 60.536 12.606 1.00 0.00 ATOM 872 NE2 GLN A 110 -27.062 62.069 13.833 1.00 0.00 ATOM 873 O GLN A 110 -23.248 57.951 15.005 1.00 0.00 ATOM 874 C GLN A 110 -23.259 58.914 15.760 1.00 0.00 ATOM 875 N GLY A 111 -22.468 58.990 16.830 1.00 0.00 ATOM 876 CA GLY A 111 -21.647 57.867 17.237 1.00 0.00 ATOM 877 O GLY A 111 -19.435 57.049 16.891 1.00 0.00 ATOM 878 C GLY A 111 -20.195 58.011 16.809 1.00 0.00 ATOM 879 N TYR A 112 -19.797 59.185 16.349 1.00 0.00 ATOM 880 CA TYR A 112 -18.414 59.411 15.929 1.00 0.00 ATOM 881 CB TYR A 112 -18.429 60.288 14.691 1.00 0.00 ATOM 882 CG TYR A 112 -18.880 59.530 13.487 1.00 0.00 ATOM 883 CD1 TYR A 112 -20.203 59.578 13.068 1.00 0.00 ATOM 884 CD2 TYR A 112 -17.979 58.772 12.751 1.00 0.00 ATOM 885 CE1 TYR A 112 -20.610 58.888 11.933 1.00 0.00 ATOM 886 CE2 TYR A 112 -18.375 58.071 11.629 1.00 0.00 ATOM 887 CZ TYR A 112 -19.697 58.132 11.228 1.00 0.00 ATOM 888 OH TYR A 112 -20.079 57.439 10.101 1.00 0.00 ATOM 889 O TYR A 112 -18.227 60.943 17.765 1.00 0.00 ATOM 890 C TYR A 112 -17.642 60.181 16.993 1.00 0.00 ATOM 891 N ILE A 113 -16.330 59.977 17.029 1.00 0.00 ATOM 892 CA ILE A 113 -15.499 60.526 18.095 1.00 0.00 ATOM 893 CB ILE A 113 -14.169 59.765 18.231 1.00 0.00 ATOM 894 CG1 ILE A 113 -14.424 58.315 18.652 1.00 0.00 ATOM 895 CG2 ILE A 113 -13.257 60.461 19.231 1.00 0.00 ATOM 896 CD1 ILE A 113 -13.199 57.432 18.573 1.00 0.00 ATOM 897 O ILE A 113 -15.167 62.440 16.684 1.00 0.00 ATOM 898 C ILE A 113 -15.293 62.013 17.830 1.00 0.00 ATOM 899 N LEU A 114 -15.271 62.801 18.899 1.00 0.00 ATOM 900 CA LEU A 114 -14.976 64.225 18.798 1.00 0.00 ATOM 901 CB LEU A 114 -16.111 65.091 19.351 1.00 0.00 ATOM 902 CG LEU A 114 -17.496 64.813 18.751 1.00 0.00 ATOM 903 CD1 LEU A 114 -18.526 65.762 19.348 1.00 0.00 ATOM 904 CD2 LEU A 114 -17.435 64.967 17.239 1.00 0.00 ATOM 905 O LEU A 114 -13.471 64.024 20.658 1.00 0.00 ATOM 906 C LEU A 114 -13.679 64.510 19.546 1.00 0.00 ATOM 907 N ALA A 115 -12.792 65.271 18.914 1.00 0.00 ATOM 908 CA ALA A 115 -11.530 65.701 19.542 1.00 0.00 ATOM 909 CB ALA A 115 -10.408 64.916 19.018 1.00 0.00 ATOM 910 O ALA A 115 -11.612 67.671 18.171 1.00 0.00 ATOM 911 C ALA A 115 -11.217 67.163 19.236 1.00 0.00 ATOM 912 N VAL A 116 -10.542 67.835 20.161 1.00 0.00 ATOM 913 CA VAL A 116 -10.141 69.218 19.932 1.00 0.00 ATOM 914 CB VAL A 116 -10.299 70.068 21.206 1.00 0.00 ATOM 915 CG1 VAL A 116 -9.741 71.481 21.020 1.00 0.00 ATOM 916 CG2 VAL A 116 -11.743 70.128 21.628 1.00 0.00 ATOM 917 O VAL A 116 -7.866 68.437 20.258 1.00 0.00 ATOM 918 C VAL A 116 -8.658 69.099 19.551 1.00 0.00 ATOM 919 N VAL A 117 -8.297 69.807 18.473 1.00 0.00 ATOM 920 CA VAL A 117 -6.894 69.951 17.993 1.00 0.00 ATOM 921 CB VAL A 117 -6.534 69.040 16.806 1.00 0.00 ATOM 922 CG1 VAL A 117 -5.019 68.992 16.589 1.00 0.00 ATOM 923 CG2 VAL A 117 -7.083 67.615 16.984 1.00 0.00 ATOM 924 O VAL A 117 -7.012 72.044 16.802 1.00 0.00 ATOM 925 C VAL A 117 -6.588 71.444 17.788 1.00 0.00 ATOM 926 N THR A 118 -5.879 72.042 18.747 1.00 0.00 ATOM 927 CA THR A 118 -5.677 73.483 18.755 1.00 0.00 ATOM 928 CB THR A 118 -6.518 74.172 19.842 1.00 0.00 ATOM 929 CG2 THR A 118 -7.997 73.872 19.645 1.00 0.00 ATOM 930 OG1 THR A 118 -6.111 73.706 21.136 1.00 0.00 ATOM 931 O THR A 118 -3.451 72.976 19.487 1.00 0.00 ATOM 932 C THR A 118 -4.194 73.804 18.975 1.00 0.00 ATOM 933 N ASN A 119 -3.768 75.013 18.604 1.00 0.00 ATOM 934 CA ASN A 119 -2.410 75.424 18.955 1.00 0.00 ATOM 935 CB ASN A 119 -1.730 76.135 17.799 1.00 0.00 ATOM 936 CG ASN A 119 -1.490 75.254 16.604 1.00 0.00 ATOM 937 ND2 ASN A 119 -2.060 75.642 15.492 1.00 0.00 ATOM 938 OD1 ASN A 119 -0.736 74.274 16.672 1.00 0.00 ATOM 939 O ASN A 119 -1.311 76.521 20.773 1.00 0.00 ATOM 940 C ASN A 119 -2.381 76.131 20.305 1.00 0.00 ATOM 941 N LYS A 120 -3.605 76.305 20.915 1.00 0.00 ATOM 942 CA LYS A 120 -3.617 76.932 22.231 1.00 0.00 ATOM 943 CB LYS A 120 -5.000 77.313 22.675 1.00 0.00 ATOM 944 CG LYS A 120 -5.614 78.391 21.801 1.00 0.00 ATOM 945 CD LYS A 120 -4.930 79.739 21.857 1.00 0.00 ATOM 946 CE LYS A 120 -5.595 80.782 20.967 1.00 0.00 ATOM 947 NZ LYS A 120 -5.587 80.368 19.531 1.00 0.00 ATOM 948 O LYS A 120 -2.975 74.691 22.765 1.00 0.00 ATOM 949 C LYS A 120 -2.968 75.871 23.114 1.00 0.00 ATOM 950 N PRO A 121 -2.302 76.251 24.205 1.00 0.00 ATOM 951 CA PRO A 121 -1.668 75.261 25.081 1.00 0.00 ATOM 952 CB PRO A 121 -1.180 76.103 26.259 1.00 0.00 ATOM 953 CG PRO A 121 -0.908 77.440 25.628 1.00 0.00 ATOM 954 CD PRO A 121 -2.100 77.618 24.718 1.00 0.00 ATOM 955 O PRO A 121 -3.935 74.614 25.547 1.00 0.00 ATOM 956 C PRO A 121 -2.750 74.272 25.508 1.00 0.00 ATOM 957 N THR A 122 -2.373 73.027 25.758 1.00 0.00 ATOM 958 CA THR A 122 -3.326 72.003 26.163 1.00 0.00 ATOM 959 CB THR A 122 -2.628 70.667 26.478 1.00 0.00 ATOM 960 CG2 THR A 122 -3.632 69.648 26.997 1.00 0.00 ATOM 961 OG1 THR A 122 -2.005 70.159 25.292 1.00 0.00 ATOM 962 O THR A 122 -5.342 72.274 27.453 1.00 0.00 ATOM 963 C THR A 122 -4.126 72.407 27.411 1.00 0.00 ATOM 964 N LYS A 123 -3.447 72.916 28.424 1.00 0.00 ATOM 965 CA LYS A 123 -4.126 73.212 29.688 1.00 0.00 ATOM 966 CB LYS A 123 -2.990 73.459 30.741 1.00 0.00 ATOM 967 CG LYS A 123 -2.235 72.186 31.195 1.00 0.00 ATOM 968 CD LYS A 123 -3.138 71.061 31.714 1.00 0.00 ATOM 969 CE LYS A 123 -3.790 71.452 33.016 1.00 0.00 ATOM 970 NZ LYS A 123 -4.434 70.317 33.716 1.00 0.00 ATOM 971 O LYS A 123 -6.215 74.311 30.111 1.00 0.00 ATOM 972 C LYS A 123 -5.117 74.368 29.540 1.00 0.00 ATOM 973 N HIS A 124 -4.727 75.397 28.783 1.00 0.00 ATOM 974 CA HIS A 124 -5.623 76.516 28.454 1.00 0.00 ATOM 975 CB HIS A 124 -4.882 77.581 27.637 1.00 0.00 ATOM 976 CG HIS A 124 -3.816 78.295 28.407 1.00 0.00 ATOM 977 CD2 HIS A 124 -3.440 78.208 29.703 1.00 0.00 ATOM 978 ND1 HIS A 124 -2.994 79.242 27.834 1.00 0.00 ATOM 979 CE1 HIS A 124 -2.156 79.703 28.745 1.00 0.00 ATOM 980 NE2 HIS A 124 -2.406 79.091 29.887 1.00 0.00 ATOM 981 O HIS A 124 -8.004 76.435 27.995 1.00 0.00 ATOM 982 C HIS A 124 -6.876 76.033 27.683 1.00 0.00 ATOM 983 N VAL A 125 -6.672 75.164 26.692 1.00 0.00 ATOM 984 CA VAL A 125 -7.781 74.593 25.917 1.00 0.00 ATOM 985 CB VAL A 125 -7.136 73.873 24.652 1.00 0.00 ATOM 986 CG1 VAL A 125 -8.193 73.263 23.730 1.00 0.00 ATOM 987 CG2 VAL A 125 -6.253 74.840 23.856 1.00 0.00 ATOM 988 O VAL A 125 -9.961 73.836 26.661 1.00 0.00 ATOM 989 C VAL A 125 -8.718 73.758 26.786 1.00 0.00 ATOM 990 N GLN A 126 -8.132 72.972 27.687 1.00 0.00 ATOM 991 CA GLN A 126 -8.925 72.200 28.612 1.00 0.00 ATOM 992 CB GLN A 126 -8.029 71.281 29.449 1.00 0.00 ATOM 993 CG GLN A 126 -7.462 70.098 28.685 1.00 0.00 ATOM 994 CD GLN A 126 -6.529 69.254 29.535 1.00 0.00 ATOM 995 OE1 GLN A 126 -6.125 69.661 30.628 1.00 0.00 ATOM 996 NE2 GLN A 126 -6.179 68.076 29.033 1.00 0.00 ATOM 997 O GLN A 126 -10.914 72.961 29.700 1.00 0.00 ATOM 998 C GLN A 126 -9.710 73.158 29.504 1.00 0.00 ATOM 999 N PRO A 127 -9.035 74.173 30.062 1.00 0.00 ATOM 1000 CA PRO A 127 -9.773 75.118 30.920 1.00 0.00 ATOM 1001 CB PRO A 127 -8.722 76.119 31.364 1.00 0.00 ATOM 1002 CG PRO A 127 -7.516 75.234 31.506 1.00 0.00 ATOM 1003 CD PRO A 127 -7.572 74.360 30.278 1.00 0.00 ATOM 1004 O PRO A 127 -12.047 75.888 30.757 1.00 0.00 ATOM 1005 C PRO A 127 -10.928 75.809 30.210 1.00 0.00 ATOM 1006 N ILE A 128 -10.672 76.286 28.994 1.00 0.00 ATOM 1007 CA ILE A 128 -11.711 76.953 28.196 1.00 0.00 ATOM 1008 CB ILE A 128 -11.149 77.482 26.865 1.00 0.00 ATOM 1009 CG1 ILE A 128 -10.173 78.633 27.115 1.00 0.00 ATOM 1010 CG2 ILE A 128 -12.280 77.931 25.952 1.00 0.00 ATOM 1011 CD1 ILE A 128 -9.372 79.033 25.899 1.00 0.00 ATOM 1012 O ILE A 128 -14.056 76.428 28.096 1.00 0.00 ATOM 1013 C ILE A 128 -12.881 76.033 27.920 1.00 0.00 ATOM 1014 N LEU A 129 -12.603 74.799 27.439 1.00 0.00 ATOM 1015 CA LEU A 129 -13.681 73.858 27.142 1.00 0.00 ATOM 1016 CB LEU A 129 -13.119 72.542 26.590 1.00 0.00 ATOM 1017 CG LEU A 129 -12.367 72.663 25.258 1.00 0.00 ATOM 1018 CD1 LEU A 129 -11.704 71.339 24.911 1.00 0.00 ATOM 1019 CD2 LEU A 129 -13.336 73.086 24.164 1.00 0.00 ATOM 1020 O LEU A 129 -15.799 73.739 28.352 1.00 0.00 ATOM 1021 C LEU A 129 -14.554 73.645 28.403 1.00 0.00 ATOM 1022 N THR A 130 -13.907 73.428 29.557 1.00 0.00 ATOM 1023 CA THR A 130 -14.638 73.184 30.804 1.00 0.00 ATOM 1024 CB THR A 130 -13.714 72.828 31.984 1.00 0.00 ATOM 1025 CG2 THR A 130 -14.518 72.685 33.266 1.00 0.00 ATOM 1026 OG1 THR A 130 -13.038 71.595 31.709 1.00 0.00 ATOM 1027 O THR A 130 -16.563 74.312 31.695 1.00 0.00 ATOM 1028 C THR A 130 -15.434 74.424 31.210 1.00 0.00 ATOM 1029 N ALA A 131 -14.860 75.638 31.020 1.00 0.00 ATOM 1030 CA ALA A 131 -15.552 76.878 31.367 1.00 0.00 ATOM 1031 CB ALA A 131 -14.653 77.973 31.156 1.00 0.00 ATOM 1032 O ALA A 131 -17.856 77.515 31.072 1.00 0.00 ATOM 1033 C ALA A 131 -16.824 77.083 30.544 1.00 0.00 ATOM 1034 N PHE A 132 -16.761 76.777 29.247 1.00 0.00 ATOM 1035 CA PHE A 132 -17.907 76.940 28.358 1.00 0.00 ATOM 1036 CB PHE A 132 -17.343 77.760 27.126 1.00 0.00 ATOM 1037 CG PHE A 132 -18.159 78.978 26.750 1.00 0.00 ATOM 1038 CD1 PHE A 132 -19.494 78.854 26.365 1.00 0.00 ATOM 1039 CD2 PHE A 132 -17.597 80.253 26.821 1.00 0.00 ATOM 1040 CE1 PHE A 132 -20.254 79.982 26.065 1.00 0.00 ATOM 1041 CE2 PHE A 132 -18.357 81.388 26.522 1.00 0.00 ATOM 1042 CZ PHE A 132 -19.681 81.247 26.147 1.00 0.00 ATOM 1043 O PHE A 132 -19.797 75.782 27.439 1.00 0.00 ATOM 1044 C PHE A 132 -18.839 75.750 28.231 1.00 0.00 ATOM 1045 N GLY A 133 -18.584 74.754 29.082 1.00 0.00 ATOM 1046 CA GLY A 133 -19.457 73.573 29.261 1.00 0.00 ATOM 1047 O GLY A 133 -20.500 71.968 27.813 1.00 0.00 ATOM 1048 C GLY A 133 -19.486 72.630 28.056 1.00 0.00 ATOM 1049 N ILE A 134 -18.367 72.546 27.335 1.00 0.00 ATOM 1050 CA ILE A 134 -18.285 71.696 26.129 1.00 0.00 ATOM 1051 CB ILE A 134 -18.042 72.507 24.832 1.00 0.00 ATOM 1052 CG1 ILE A 134 -16.646 73.175 24.825 1.00 0.00 ATOM 1053 CG2 ILE A 134 -19.215 73.485 24.603 1.00 0.00 ATOM 1054 CD1 ILE A 134 -16.298 73.784 23.445 1.00 0.00 ATOM 1055 O ILE A 134 -17.127 69.726 25.380 1.00 0.00 ATOM 1056 C ILE A 134 -17.225 70.588 26.254 1.00 0.00 ATOM 1057 N ASP A 135 -16.492 70.585 27.361 1.00 0.00 ATOM 1058 CA ASP A 135 -15.410 69.614 27.589 1.00 0.00 ATOM 1059 CB ASP A 135 -14.782 69.821 28.969 1.00 0.00 ATOM 1060 CG ASP A 135 -15.758 69.683 30.130 1.00 0.00 ATOM 1061 OD1 ASP A 135 -16.768 70.345 30.112 1.00 0.00 ATOM 1062 OD2 ASP A 135 -15.563 68.813 30.943 1.00 0.00 ATOM 1063 O ASP A 135 -15.239 67.272 27.068 1.00 0.00 ATOM 1064 C ASP A 135 -15.927 68.174 27.553 1.00 0.00 ATOM 1065 N HIS A 136 -17.145 68.008 27.988 1.00 0.00 ATOM 1066 CA HIS A 136 -17.753 66.672 28.014 1.00 0.00 ATOM 1067 CB HIS A 136 -19.019 66.657 28.877 1.00 0.00 ATOM 1068 CG HIS A 136 -20.192 67.329 28.236 1.00 0.00 ATOM 1069 CD2 HIS A 136 -21.277 66.822 27.603 1.00 0.00 ATOM 1070 ND1 HIS A 136 -20.337 68.700 28.204 1.00 0.00 ATOM 1071 CE1 HIS A 136 -21.459 69.006 27.579 1.00 0.00 ATOM 1072 NE2 HIS A 136 -22.049 67.884 27.205 1.00 0.00 ATOM 1073 O HIS A 136 -18.297 64.772 26.584 1.00 0.00 ATOM 1074 C HIS A 136 -18.096 66.007 26.656 1.00 0.00 ATOM 1075 N LEU A 137 -18.162 66.797 25.590 1.00 0.00 ATOM 1076 CA LEU A 137 -18.452 66.263 24.260 1.00 0.00 ATOM 1077 CB LEU A 137 -19.062 67.392 23.389 1.00 0.00 ATOM 1078 CG LEU A 137 -20.487 67.741 23.829 1.00 0.00 ATOM 1079 CD1 LEU A 137 -20.889 69.135 23.188 1.00 0.00 ATOM 1080 CD2 LEU A 137 -21.483 66.607 23.390 1.00 0.00 ATOM 1081 O LEU A 137 -17.376 65.087 22.483 1.00 0.00 ATOM 1082 C LEU A 137 -17.243 65.617 23.583 1.00 0.00 ATOM 1083 N PHE A 138 -16.066 65.764 24.190 1.00 0.00 ATOM 1084 CA PHE A 138 -14.819 65.323 23.555 1.00 0.00 ATOM 1085 CB PHE A 138 -13.778 66.440 23.552 1.00 0.00 ATOM 1086 CG PHE A 138 -14.228 67.687 22.844 1.00 0.00 ATOM 1087 CD1 PHE A 138 -14.597 68.814 23.562 1.00 0.00 ATOM 1088 CD2 PHE A 138 -14.283 67.733 21.459 1.00 0.00 ATOM 1089 CE1 PHE A 138 -15.011 69.963 22.911 1.00 0.00 ATOM 1090 CE2 PHE A 138 -14.696 68.879 20.807 1.00 0.00 ATOM 1091 CZ PHE A 138 -15.060 69.994 21.534 1.00 0.00 ATOM 1092 O PHE A 138 -14.109 63.969 25.406 1.00 0.00 ATOM 1093 C PHE A 138 -14.160 64.099 24.184 1.00 0.00 ATOM 1094 N SER A 139 -13.612 63.228 23.338 1.00 0.00 ATOM 1095 CA SER A 139 -12.837 62.079 23.830 1.00 0.00 ATOM 1096 CB SER A 139 -12.723 60.999 22.785 1.00 0.00 ATOM 1097 OG SER A 139 -11.836 61.369 21.748 1.00 0.00 ATOM 1098 O SER A 139 -10.955 62.139 25.313 1.00 0.00 ATOM 1099 C SER A 139 -11.456 62.564 24.272 1.00 0.00 ATOM 1100 N GLU A 140 -10.894 63.526 23.564 1.00 0.00 ATOM 1101 CA GLU A 140 -9.572 64.052 23.841 1.00 0.00 ATOM 1102 CB GLU A 140 -8.583 63.280 22.998 1.00 0.00 ATOM 1103 CG GLU A 140 -7.154 63.426 23.352 1.00 0.00 ATOM 1104 CD GLU A 140 -6.793 62.791 24.686 1.00 0.00 ATOM 1105 OE1 GLU A 140 -7.345 61.704 25.019 1.00 0.00 ATOM 1106 OE2 GLU A 140 -5.935 63.378 25.385 1.00 0.00 ATOM 1107 O GLU A 140 -9.936 65.959 22.426 1.00 0.00 ATOM 1108 C GLU A 140 -9.417 65.522 23.467 1.00 0.00 ATOM 1109 N MET A 141 -8.633 66.228 24.247 1.00 0.00 ATOM 1110 CA MET A 141 -8.321 67.603 23.900 1.00 0.00 ATOM 1111 CB MET A 141 -8.777 68.558 25.000 1.00 0.00 ATOM 1112 CG MET A 141 -8.451 68.153 26.423 1.00 0.00 ATOM 1113 SD MET A 141 -9.991 68.344 27.594 1.00 0.00 ATOM 1114 CE MET A 141 -10.923 66.715 27.125 1.00 0.00 ATOM 1115 O MET A 141 -6.092 67.513 24.773 1.00 0.00 ATOM 1116 C MET A 141 -6.802 67.715 23.780 1.00 0.00 ATOM 1117 N LEU A 142 -6.330 68.057 22.587 1.00 0.00 ATOM 1118 CA LEU A 142 -4.896 68.218 22.323 1.00 0.00 ATOM 1119 CB LEU A 142 -4.486 67.228 21.241 1.00 0.00 ATOM 1120 CG LEU A 142 -4.956 65.781 21.456 1.00 0.00 ATOM 1121 CD1 LEU A 142 -4.417 64.862 20.366 1.00 0.00 ATOM 1122 CD2 LEU A 142 -4.521 65.240 22.801 1.00 0.00 ATOM 1123 O LEU A 142 -5.108 70.183 20.975 1.00 0.00 ATOM 1124 C LEU A 142 -4.533 69.644 21.922 1.00 0.00 ATOM 1125 N GLY A 143 -3.595 70.243 22.647 1.00 0.00 ATOM 1126 CA GLY A 143 -3.106 71.603 22.307 1.00 0.00 ATOM 1127 O GLY A 143 -0.986 70.515 22.032 1.00 0.00 ATOM 1128 C GLY A 143 -1.588 71.587 22.126 1.00 0.00 ATOM 1129 N GLY A 144 -0.983 72.769 22.056 1.00 0.00 ATOM 1130 CA GLY A 144 0.446 72.884 21.785 1.00 0.00 ATOM 1131 O GLY A 144 2.429 71.949 22.759 1.00 0.00 ATOM 1132 C GLY A 144 1.266 72.313 22.934 1.00 0.00 ATOM 1133 N GLN A 145 0.638 72.188 24.097 1.00 0.00 ATOM 1134 CA GLN A 145 1.346 71.797 25.312 1.00 0.00 ATOM 1135 CB GLN A 145 0.511 72.156 26.544 1.00 0.00 ATOM 1136 CG GLN A 145 1.223 71.929 27.864 1.00 0.00 ATOM 1137 CD GLN A 145 0.420 72.434 29.051 1.00 0.00 ATOM 1138 OE1 GLN A 145 -0.583 73.135 28.885 1.00 0.00 ATOM 1139 NE2 GLN A 145 0.859 72.086 30.255 1.00 0.00 ATOM 1140 O GLN A 145 0.897 69.488 24.838 1.00 0.00 ATOM 1141 C GLN A 145 1.691 70.314 25.290 1.00 0.00 ATOM 1142 N SER A 146 2.898 69.984 25.742 1.00 0.00 ATOM 1143 CA SER A 146 3.356 68.602 25.767 1.00 0.00 ATOM 1144 CB SER A 146 2.369 67.764 26.556 1.00 0.00 ATOM 1145 OG SER A 146 2.226 68.220 27.872 1.00 0.00 ATOM 1146 O SER A 146 3.318 66.839 24.139 1.00 0.00 ATOM 1147 C SER A 146 3.536 68.029 24.365 1.00 0.00 ATOM 1148 N LEU A 147 3.979 68.872 23.439 1.00 0.00 ATOM 1149 CA LEU A 147 4.215 68.446 22.066 1.00 0.00 ATOM 1150 CB LEU A 147 3.199 69.099 21.122 1.00 0.00 ATOM 1151 CG LEU A 147 1.715 68.823 21.352 1.00 0.00 ATOM 1152 CD1 LEU A 147 0.893 69.620 20.346 1.00 0.00 ATOM 1153 CD2 LEU A 147 1.447 67.333 21.209 1.00 0.00 ATOM 1154 O LEU A 147 6.072 69.925 21.740 1.00 0.00 ATOM 1155 C LEU A 147 5.629 68.784 21.617 1.00 0.00 ATOM 1156 N PRO A 148 6.336 67.784 21.099 1.00 0.00 ATOM 1157 CA PRO A 148 7.711 67.970 20.654 1.00 0.00 ATOM 1158 CB PRO A 148 8.138 66.575 20.164 1.00 0.00 ATOM 1159 CG PRO A 148 7.257 65.615 20.913 1.00 0.00 ATOM 1160 CD PRO A 148 5.851 66.421 20.850 1.00 0.00 ATOM 1161 O PRO A 148 7.003 69.009 18.611 1.00 0.00 ATOM 1162 C PRO A 148 7.803 69.010 19.543 1.00 0.00 ATOM 1163 N GLU A 149 8.785 69.899 19.652 1.00 0.00 ATOM 1164 CA GLU A 149 9.049 70.881 18.609 1.00 0.00 ATOM 1165 CB GLU A 149 10.121 71.873 19.065 1.00 0.00 ATOM 1166 CG GLU A 149 11.506 71.263 19.241 1.00 0.00 ATOM 1167 CD GLU A 149 11.648 70.609 20.589 1.00 0.00 ATOM 1168 OE1 GLU A 149 10.661 70.491 21.276 1.00 0.00 ATOM 1169 OE2 GLU A 149 12.714 70.125 20.882 1.00 0.00 ATOM 1170 O GLU A 149 9.508 70.848 16.253 1.00 0.00 ATOM 1171 C GLU A 149 9.447 70.207 17.303 1.00 0.00 ATOM 1172 N ILE A 150 9.753 68.915 17.380 1.00 0.00 ATOM 1173 CA ILE A 150 10.177 68.156 16.209 1.00 0.00 ATOM 1174 CB ILE A 150 11.532 67.472 16.456 1.00 0.00 ATOM 1175 CG1 ILE A 150 11.428 66.487 17.624 1.00 0.00 ATOM 1176 CG2 ILE A 150 12.611 68.511 16.725 1.00 0.00 ATOM 1177 CD1 ILE A 150 12.632 65.586 17.771 1.00 0.00 ATOM 1178 O ILE A 150 9.304 66.644 14.611 1.00 0.00 ATOM 1179 C ILE A 150 9.089 67.257 15.687 1.00 0.00 ATOM 1180 N LYS A 151 7.937 67.221 16.376 1.00 0.00 ATOM 1181 CA LYS A 151 6.775 66.440 15.942 1.00 0.00 ATOM 1182 CB LYS A 151 5.654 66.513 16.979 1.00 0.00 ATOM 1183 CG LYS A 151 4.468 65.602 16.693 1.00 0.00 ATOM 1184 CD LYS A 151 4.786 64.155 17.035 1.00 0.00 ATOM 1185 CE LYS A 151 3.603 63.243 16.743 1.00 0.00 ATOM 1186 NZ LYS A 151 3.914 61.816 17.032 1.00 0.00 ATOM 1187 O LYS A 151 6.040 68.246 14.542 1.00 0.00 ATOM 1188 C LYS A 151 6.307 67.045 14.623 1.00 0.00 ATOM 1189 N PRO A 152 6.210 66.211 13.596 1.00 0.00 ATOM 1190 CA PRO A 152 5.759 66.659 12.283 1.00 0.00 ATOM 1191 CB PRO A 152 5.747 65.381 11.431 1.00 0.00 ATOM 1192 CG PRO A 152 6.741 64.466 12.093 1.00 0.00 ATOM 1193 CD PRO A 152 6.397 64.754 13.650 1.00 0.00 ATOM 1194 O PRO A 152 3.519 66.858 13.118 1.00 0.00 ATOM 1195 C PRO A 152 4.386 67.309 12.370 1.00 0.00 ATOM 1196 N HIS A 153 4.151 68.335 11.524 1.00 0.00 ATOM 1197 CA HIS A 153 2.955 69.166 11.603 1.00 0.00 ATOM 1198 CB HIS A 153 3.323 70.653 11.608 1.00 0.00 ATOM 1199 CG HIS A 153 4.113 71.072 12.810 1.00 0.00 ATOM 1200 CD2 HIS A 153 5.447 71.146 13.017 1.00 0.00 ATOM 1201 ND1 HIS A 153 3.518 71.479 13.986 1.00 0.00 ATOM 1202 CE1 HIS A 153 4.455 71.785 14.865 1.00 0.00 ATOM 1203 NE2 HIS A 153 5.633 71.594 14.304 1.00 0.00 ATOM 1204 O HIS A 153 2.440 68.519 9.350 1.00 0.00 ATOM 1205 C HIS A 153 2.006 68.869 10.447 1.00 0.00 ATOM 1206 N PRO A 154 0.654 68.983 10.834 1.00 0.00 ATOM 1207 CA PRO A 154 0.151 69.391 12.141 1.00 0.00 ATOM 1208 CB PRO A 154 -1.366 69.485 11.902 1.00 0.00 ATOM 1209 CG PRO A 154 -1.617 68.393 10.865 1.00 0.00 ATOM 1210 CD PRO A 154 -0.403 68.419 9.981 1.00 0.00 ATOM 1211 O PRO A 154 0.099 67.270 13.260 1.00 0.00 ATOM 1212 C PRO A 154 0.559 68.412 13.235 1.00 0.00 ATOM 1213 N ALA A 155 1.443 68.857 14.120 1.00 0.00 ATOM 1214 CA ALA A 155 1.905 68.021 15.252 1.00 0.00 ATOM 1215 CB ALA A 155 2.940 68.784 16.063 1.00 0.00 ATOM 1216 O ALA A 155 0.594 66.421 16.544 1.00 0.00 ATOM 1217 C ALA A 155 0.741 67.609 16.172 1.00 0.00 ATOM 1218 N PRO A 156 -0.142 68.568 16.445 1.00 0.00 ATOM 1219 CA PRO A 156 -1.320 68.311 17.273 1.00 0.00 ATOM 1220 CB PRO A 156 -2.007 69.682 17.386 1.00 0.00 ATOM 1221 CG PRO A 156 -0.901 70.686 17.206 1.00 0.00 ATOM 1222 CD PRO A 156 -0.106 69.952 15.956 1.00 0.00 ATOM 1223 O PRO A 156 -2.685 66.306 17.261 1.00 0.00 ATOM 1224 C PRO A 156 -2.229 67.256 16.617 1.00 0.00 ATOM 1225 N PHE A 157 -2.440 67.407 15.315 1.00 0.00 ATOM 1226 CA PHE A 157 -3.255 66.464 14.536 1.00 0.00 ATOM 1227 CB PHE A 157 -3.420 66.961 13.097 1.00 0.00 ATOM 1228 CG PHE A 157 -4.089 68.304 12.996 1.00 0.00 ATOM 1229 CD1 PHE A 157 -4.407 69.025 14.138 1.00 0.00 ATOM 1230 CD2 PHE A 157 -4.405 68.843 11.760 1.00 0.00 ATOM 1231 CE1 PHE A 157 -5.021 70.258 14.044 1.00 0.00 ATOM 1232 CE2 PHE A 157 -5.018 70.079 11.662 1.00 0.00 ATOM 1233 CZ PHE A 157 -5.327 70.785 12.808 1.00 0.00 ATOM 1234 O PHE A 157 -3.283 64.040 14.653 1.00 0.00 ATOM 1235 C PHE A 157 -2.591 65.070 14.538 1.00 0.00 ATOM 1236 N TYR A 158 -1.270 65.033 14.317 1.00 0.00 ATOM 1237 CA TYR A 158 -0.522 63.769 14.439 1.00 0.00 ATOM 1238 CB TYR A 158 0.954 63.980 14.319 1.00 0.00 ATOM 1239 CG TYR A 158 1.416 64.035 12.870 1.00 0.00 ATOM 1240 CD1 TYR A 158 1.187 65.185 12.109 1.00 0.00 ATOM 1241 CD2 TYR A 158 2.107 62.962 12.349 1.00 0.00 ATOM 1242 CE1 TYR A 158 1.669 65.253 10.811 1.00 0.00 ATOM 1243 CE2 TYR A 158 2.585 63.036 11.055 1.00 0.00 ATOM 1244 CZ TYR A 158 2.371 64.172 10.288 1.00 0.00 ATOM 1245 OH TYR A 158 2.829 64.213 8.987 1.00 0.00 ATOM 1246 O TYR A 158 -1.007 61.910 15.880 1.00 0.00 ATOM 1247 C TYR A 158 -0.753 63.109 15.797 1.00 0.00 ATOM 1248 N TYR A 159 -0.625 63.890 16.859 1.00 0.00 ATOM 1249 CA TYR A 159 -0.822 63.361 18.198 1.00 0.00 ATOM 1250 CB TYR A 159 -0.582 64.453 19.246 1.00 0.00 ATOM 1251 CG TYR A 159 -0.581 63.943 20.670 1.00 0.00 ATOM 1252 CD1 TYR A 159 0.590 63.496 21.266 1.00 0.00 ATOM 1253 CD2 TYR A 159 -1.749 63.914 21.415 1.00 0.00 ATOM 1254 CE1 TYR A 159 0.596 63.030 22.566 1.00 0.00 ATOM 1255 CE2 TYR A 159 -1.755 63.450 22.717 1.00 0.00 ATOM 1256 CZ TYR A 159 -0.579 63.011 23.290 1.00 0.00 ATOM 1257 OH TYR A 159 -0.579 62.549 24.587 1.00 0.00 ATOM 1258 O TYR A 159 -2.393 61.637 18.851 1.00 0.00 ATOM 1259 C TYR A 159 -2.243 62.758 18.356 1.00 0.00 ATOM 1260 N LEU A 160 -3.257 63.497 17.928 1.00 0.00 ATOM 1261 CA LEU A 160 -4.645 63.022 17.996 1.00 0.00 ATOM 1262 CB LEU A 160 -5.609 63.994 17.351 1.00 0.00 ATOM 1263 CG LEU A 160 -7.089 63.585 17.441 1.00 0.00 ATOM 1264 CD1 LEU A 160 -7.517 63.491 18.898 1.00 0.00 ATOM 1265 CD2 LEU A 160 -7.958 64.587 16.686 1.00 0.00 ATOM 1266 O LEU A 160 -5.379 60.734 17.771 1.00 0.00 ATOM 1267 C LEU A 160 -4.814 61.696 17.237 1.00 0.00 ATOM 1268 N CYS A 161 -4.306 61.637 16.006 1.00 0.00 ATOM 1269 CA CYS A 161 -4.453 60.442 15.172 1.00 0.00 ATOM 1270 CB CYS A 161 -3.808 60.577 13.836 1.00 0.00 ATOM 1271 SG CYS A 161 -4.783 61.551 12.671 1.00 0.00 ATOM 1272 O CYS A 161 -4.377 58.152 15.948 1.00 0.00 ATOM 1273 C CYS A 161 -3.754 59.222 15.779 1.00 0.00 ATOM 1274 N GLY A 162 -2.480 59.396 16.132 1.00 0.00 ATOM 1275 CA GLY A 162 -1.692 58.307 16.714 1.00 0.00 ATOM 1276 O GLY A 162 -2.373 56.607 18.255 1.00 0.00 ATOM 1277 C GLY A 162 -2.228 57.812 18.061 1.00 0.00 ATOM 1278 N LYS A 163 -2.591 58.732 18.953 1.00 0.00 ATOM 1279 CA LYS A 163 -3.095 58.336 20.267 1.00 0.00 ATOM 1280 CB LYS A 163 -3.350 59.568 21.138 1.00 0.00 ATOM 1281 CG LYS A 163 -3.747 59.251 22.572 1.00 0.00 ATOM 1282 CD LYS A 163 -3.870 60.518 23.406 1.00 0.00 ATOM 1283 CE LYS A 163 -4.038 60.199 24.883 1.00 0.00 ATOM 1284 NZ LYS A 163 -5.365 59.595 25.174 1.00 0.00 ATOM 1285 O LYS A 163 -4.618 56.657 20.968 1.00 0.00 ATOM 1286 C LYS A 163 -4.386 57.541 20.153 1.00 0.00 ATOM 1287 N PHE A 164 -5.193 57.813 19.118 1.00 0.00 ATOM 1288 CA PHE A 164 -6.451 57.094 18.908 1.00 0.00 ATOM 1289 CB PHE A 164 -7.545 58.151 18.636 1.00 0.00 ATOM 1290 CG PHE A 164 -7.848 58.945 19.892 1.00 0.00 ATOM 1291 CD1 PHE A 164 -7.184 60.118 20.178 1.00 0.00 ATOM 1292 CD2 PHE A 164 -8.828 58.484 20.760 1.00 0.00 ATOM 1293 CE1 PHE A 164 -7.488 60.833 21.318 1.00 0.00 ATOM 1294 CE2 PHE A 164 -9.117 59.160 21.915 1.00 0.00 ATOM 1295 CZ PHE A 164 -8.429 60.333 22.207 1.00 0.00 ATOM 1296 O PHE A 164 -7.313 55.237 17.708 1.00 0.00 ATOM 1297 C PHE A 164 -6.339 55.942 17.932 1.00 0.00 ATOM 1298 N GLY A 165 -5.153 55.739 17.366 1.00 0.00 ATOM 1299 CA GLY A 165 -4.970 54.619 16.453 1.00 0.00 ATOM 1300 O GLY A 165 -6.406 53.871 14.700 1.00 0.00 ATOM 1301 C GLY A 165 -5.765 54.803 15.164 1.00 0.00 ATOM 1302 N LEU A 166 -5.740 56.032 14.641 1.00 0.00 ATOM 1303 CA LEU A 166 -6.431 56.394 13.407 1.00 0.00 ATOM 1304 CB LEU A 166 -7.248 57.670 13.604 1.00 0.00 ATOM 1305 CG LEU A 166 -8.373 57.692 14.633 1.00 0.00 ATOM 1306 CD1 LEU A 166 -8.893 59.115 14.773 1.00 0.00 ATOM 1307 CD2 LEU A 166 -9.488 56.754 14.201 1.00 0.00 ATOM 1308 O LEU A 166 -4.342 57.108 12.450 1.00 0.00 ATOM 1309 C LEU A 166 -5.479 56.683 12.248 1.00 0.00 ATOM 1310 N TYR A 167 -5.942 56.379 11.030 1.00 0.00 ATOM 1311 CA TYR A 167 -5.179 56.566 9.809 1.00 0.00 ATOM 1312 CB TYR A 167 -5.413 55.488 8.747 1.00 0.00 ATOM 1313 CG TYR A 167 -4.641 54.211 8.993 1.00 0.00 ATOM 1314 CD1 TYR A 167 -5.246 53.117 9.595 1.00 0.00 ATOM 1315 CD2 TYR A 167 -3.310 54.099 8.621 1.00 0.00 ATOM 1316 CE1 TYR A 167 -4.549 51.947 9.823 1.00 0.00 ATOM 1317 CE2 TYR A 167 -2.601 52.935 8.841 1.00 0.00 ATOM 1318 CZ TYR A 167 -3.223 51.860 9.445 1.00 0.00 ATOM 1319 OH TYR A 167 -2.524 50.698 9.666 1.00 0.00 ATOM 1320 O TYR A 167 -6.863 58.252 9.695 1.00 0.00 ATOM 1321 C TYR A 167 -5.724 57.923 9.378 1.00 0.00 ATOM 1322 N PRO A 168 -4.906 58.724 8.686 1.00 0.00 ATOM 1323 CA PRO A 168 -5.349 60.085 8.360 1.00 0.00 ATOM 1324 CB PRO A 168 -4.184 60.677 7.547 1.00 0.00 ATOM 1325 CG PRO A 168 -2.961 59.949 8.037 1.00 0.00 ATOM 1326 CD PRO A 168 -3.603 58.419 8.091 1.00 0.00 ATOM 1327 O PRO A 168 -7.467 60.970 7.665 1.00 0.00 ATOM 1328 C PRO A 168 -6.646 60.068 7.551 1.00 0.00 ATOM 1329 N LYS A 169 -6.829 59.042 6.703 1.00 0.00 ATOM 1330 CA LYS A 169 -8.033 58.936 5.885 1.00 0.00 ATOM 1331 CB LYS A 169 -7.922 57.684 5.014 1.00 0.00 ATOM 1332 CG LYS A 169 -7.998 56.372 5.786 1.00 0.00 ATOM 1333 CD LYS A 169 -7.849 55.175 4.860 1.00 0.00 ATOM 1334 CE LYS A 169 -7.964 53.864 5.623 1.00 0.00 ATOM 1335 NZ LYS A 169 -7.806 52.684 4.731 1.00 0.00 ATOM 1336 O LYS A 169 -10.438 59.105 6.159 1.00 0.00 ATOM 1337 C LYS A 169 -9.345 58.855 6.689 1.00 0.00 ATOM 1338 N GLN A 170 -9.231 58.512 7.974 1.00 0.00 ATOM 1339 CA GLN A 170 -10.382 58.348 8.839 1.00 0.00 ATOM 1340 CB GLN A 170 -10.139 57.236 9.864 1.00 0.00 ATOM 1341 CG GLN A 170 -9.715 55.910 9.255 1.00 0.00 ATOM 1342 CD GLN A 170 -9.482 54.841 10.304 1.00 0.00 ATOM 1343 OE1 GLN A 170 -8.435 54.808 10.959 1.00 0.00 ATOM 1344 NE2 GLN A 170 -10.457 53.953 10.469 1.00 0.00 ATOM 1345 O GLN A 170 -11.739 59.604 10.357 1.00 0.00 ATOM 1346 C GLN A 170 -10.760 59.625 9.603 1.00 0.00 ATOM 1347 N ILE A 171 -9.999 60.716 9.425 1.00 0.00 ATOM 1348 CA ILE A 171 -10.298 61.947 10.157 1.00 0.00 ATOM 1349 CB ILE A 171 -9.123 62.329 11.042 1.00 0.00 ATOM 1350 CG1 ILE A 171 -8.843 61.134 11.955 1.00 0.00 ATOM 1351 CG2 ILE A 171 -9.395 63.569 11.842 1.00 0.00 ATOM 1352 CD1 ILE A 171 -7.735 61.347 12.945 1.00 0.00 ATOM 1353 O ILE A 171 -9.911 63.290 8.186 1.00 0.00 ATOM 1354 C ILE A 171 -10.509 63.178 9.265 1.00 0.00 ATOM 1355 N LEU A 172 -11.333 64.116 9.772 1.00 0.00 ATOM 1356 CA LEU A 172 -11.510 65.415 9.117 1.00 0.00 ATOM 1357 CB LEU A 172 -12.897 65.408 8.463 1.00 0.00 ATOM 1358 CG LEU A 172 -14.080 65.425 9.437 1.00 0.00 ATOM 1359 CD1 LEU A 172 -15.336 65.904 8.725 1.00 0.00 ATOM 1360 CD2 LEU A 172 -14.284 64.035 10.019 1.00 0.00 ATOM 1361 O LEU A 172 -11.967 66.314 11.295 1.00 0.00 ATOM 1362 C LEU A 172 -11.451 66.478 10.190 1.00 0.00 ATOM 1363 N PHE A 173 -10.870 67.629 9.819 1.00 0.00 ATOM 1364 CA PHE A 173 -10.807 68.770 10.722 1.00 0.00 ATOM 1365 CB PHE A 173 -9.364 69.304 10.814 1.00 0.00 ATOM 1366 CG PHE A 173 -8.397 68.313 11.379 1.00 0.00 ATOM 1367 CD1 PHE A 173 -8.336 68.087 12.751 1.00 0.00 ATOM 1368 CD2 PHE A 173 -7.612 67.535 10.538 1.00 0.00 ATOM 1369 CE1 PHE A 173 -7.510 67.100 13.275 1.00 0.00 ATOM 1370 CE2 PHE A 173 -6.782 66.542 11.052 1.00 0.00 ATOM 1371 CZ PHE A 173 -6.735 66.325 12.425 1.00 0.00 ATOM 1372 O PHE A 173 -11.715 70.334 9.142 1.00 0.00 ATOM 1373 C PHE A 173 -11.762 69.870 10.288 1.00 0.00 ATOM 1374 N VAL A 174 -12.572 70.333 11.244 1.00 0.00 ATOM 1375 CA VAL A 174 -13.516 71.412 11.001 1.00 0.00 ATOM 1376 CB VAL A 174 -14.863 71.100 11.601 1.00 0.00 ATOM 1377 CG1 VAL A 174 -15.822 72.130 11.152 1.00 0.00 ATOM 1378 CG2 VAL A 174 -15.299 69.738 11.164 1.00 0.00 ATOM 1379 O VAL A 174 -12.601 72.749 12.766 1.00 0.00 ATOM 1380 C VAL A 174 -12.828 72.649 11.550 1.00 0.00 ATOM 1381 N GLY A 175 -12.493 73.588 10.667 1.00 0.00 ATOM 1382 CA GLY A 175 -11.693 74.742 11.075 1.00 0.00 ATOM 1383 O GLY A 175 -12.535 75.957 9.196 1.00 0.00 ATOM 1384 C GLY A 175 -11.931 76.009 10.279 1.00 0.00 ATOM 1385 N ASP A 176 -11.487 77.137 10.843 1.00 0.00 ATOM 1386 CA ASP A 176 -11.745 78.458 10.288 1.00 0.00 ATOM 1387 CB ASP A 176 -12.355 79.342 11.446 1.00 0.00 ATOM 1388 CG ASP A 176 -13.691 78.802 11.835 1.00 0.00 ATOM 1389 OD1 ASP A 176 -14.196 77.808 11.339 1.00 0.00 ATOM 1390 OD2 ASP A 176 -14.265 79.579 12.689 1.00 0.00 ATOM 1391 O ASP A 176 -10.793 80.306 9.203 1.00 0.00 ATOM 1392 C ASP A 176 -10.587 79.177 9.676 1.00 0.00 ATOM 1393 N SER A 177 -9.360 78.560 9.627 1.00 0.00 ATOM 1394 CA SER A 177 -8.118 79.289 9.286 1.00 0.00 ATOM 1395 CB SER A 177 -7.272 79.527 10.540 1.00 0.00 ATOM 1396 OG SER A 177 -7.943 80.468 11.362 1.00 0.00 ATOM 1397 O SER A 177 -7.318 77.268 8.191 1.00 0.00 ATOM 1398 C SER A 177 -7.251 78.513 8.296 1.00 0.00 ATOM 1399 N GLN A 178 -6.377 79.264 7.616 1.00 0.00 ATOM 1400 CA GLN A 178 -5.372 78.686 6.731 1.00 0.00 ATOM 1401 CB GLN A 178 -4.499 79.784 6.118 1.00 0.00 ATOM 1402 CG GLN A 178 -5.223 80.667 5.115 1.00 0.00 ATOM 1403 CD GLN A 178 -4.323 81.737 4.529 1.00 0.00 ATOM 1404 OE1 GLN A 178 -3.953 82.697 5.212 1.00 0.00 ATOM 1405 NE2 GLN A 178 -3.967 81.582 3.259 1.00 0.00 ATOM 1406 O GLN A 178 -4.049 76.686 6.892 1.00 0.00 ATOM 1407 C GLN A 178 -4.502 77.672 7.476 1.00 0.00 ATOM 1408 N ASN A 179 -4.243 77.921 8.759 1.00 0.00 ATOM 1409 CA ASN A 179 -3.441 76.970 9.560 1.00 0.00 ATOM 1410 CB ASN A 179 -3.135 77.528 10.936 1.00 0.00 ATOM 1411 CG ASN A 179 -2.121 78.637 10.931 1.00 0.00 ATOM 1412 ND2 ASN A 179 -2.071 79.363 12.019 1.00 0.00 ATOM 1413 OD1 ASN A 179 -1.342 78.787 9.983 1.00 0.00 ATOM 1414 O ASN A 179 -3.420 74.574 9.479 1.00 0.00 ATOM 1415 C ASN A 179 -4.080 75.597 9.679 1.00 0.00 ATOM 1416 N ASP A 180 -5.412 75.569 9.868 1.00 0.00 ATOM 1417 CA ASP A 180 -6.203 74.353 9.872 1.00 0.00 ATOM 1418 CB ASP A 180 -7.672 74.569 10.236 1.00 0.00 ATOM 1419 CG ASP A 180 -7.877 74.832 11.722 1.00 0.00 ATOM 1420 OD1 ASP A 180 -6.975 74.514 12.539 1.00 0.00 ATOM 1421 OD2 ASP A 180 -8.939 75.372 12.063 1.00 0.00 ATOM 1422 O ASP A 180 -5.962 72.425 8.425 1.00 0.00 ATOM 1423 C ASP A 180 -6.159 73.644 8.500 1.00 0.00 ATOM 1424 N ILE A 181 -6.301 74.430 7.435 1.00 0.00 ATOM 1425 CA ILE A 181 -6.235 73.879 6.088 1.00 0.00 ATOM 1426 CB ILE A 181 -6.601 74.933 5.009 1.00 0.00 ATOM 1427 CG1 ILE A 181 -8.070 75.319 5.143 1.00 0.00 ATOM 1428 CG2 ILE A 181 -6.274 74.408 3.640 1.00 0.00 ATOM 1429 CD1 ILE A 181 -8.425 76.574 4.391 1.00 0.00 ATOM 1430 O ILE A 181 -4.780 72.167 5.241 1.00 0.00 ATOM 1431 C ILE A 181 -4.869 73.283 5.757 1.00 0.00 ATOM 1432 N PHE A 182 -3.773 74.009 6.068 1.00 0.00 ATOM 1433 CA PHE A 182 -2.443 73.492 5.790 1.00 0.00 ATOM 1434 CB PHE A 182 -1.413 74.605 5.988 1.00 0.00 ATOM 1435 CG PHE A 182 -1.592 75.770 5.058 1.00 0.00 ATOM 1436 CD1 PHE A 182 -2.375 75.652 3.919 1.00 0.00 ATOM 1437 CD2 PHE A 182 -0.973 76.984 5.316 1.00 0.00 ATOM 1438 CE1 PHE A 182 -2.539 76.723 3.062 1.00 0.00 ATOM 1439 CE2 PHE A 182 -1.138 78.057 4.461 1.00 0.00 ATOM 1440 CZ PHE A 182 -1.922 77.926 3.333 1.00 0.00 ATOM 1441 O PHE A 182 -1.487 71.354 6.267 1.00 0.00 ATOM 1442 C PHE A 182 -2.144 72.298 6.688 1.00 0.00 ATOM 1443 N ALA A 183 -2.621 72.344 7.928 1.00 0.00 ATOM 1444 CA ALA A 183 -2.384 71.237 8.842 1.00 0.00 ATOM 1445 CB ALA A 183 -2.982 71.560 10.122 1.00 0.00 ATOM 1446 O ALA A 183 -2.352 68.913 8.224 1.00 0.00 ATOM 1447 C ALA A 183 -3.000 69.974 8.261 1.00 0.00 ATOM 1448 N ALA A 184 -4.224 70.084 7.744 1.00 0.00 ATOM 1449 CA ALA A 184 -4.910 68.953 7.149 1.00 0.00 ATOM 1450 CB ALA A 184 -6.331 69.330 6.716 1.00 0.00 ATOM 1451 O ALA A 184 -3.921 67.174 5.860 1.00 0.00 ATOM 1452 C ALA A 184 -4.117 68.391 5.970 1.00 0.00 ATOM 1453 N HIS A 185 -3.620 69.277 5.116 1.00 0.00 ATOM 1454 CA HIS A 185 -2.921 68.855 3.928 1.00 0.00 ATOM 1455 CB HIS A 185 -2.646 70.039 2.998 1.00 0.00 ATOM 1456 CG HIS A 185 -1.968 69.655 1.719 1.00 0.00 ATOM 1457 CD2 HIS A 185 -0.710 69.878 1.275 1.00 0.00 ATOM 1458 ND1 HIS A 185 -2.608 68.951 0.721 1.00 0.00 ATOM 1459 CE1 HIS A 185 -1.771 68.755 -0.282 1.00 0.00 ATOM 1460 NE2 HIS A 185 -0.612 69.308 0.029 1.00 0.00 ATOM 1461 O HIS A 185 -1.280 67.098 3.768 1.00 0.00 ATOM 1462 C HIS A 185 -1.633 68.137 4.321 1.00 0.00 ATOM 1463 N SER A 186 -0.910 68.692 5.286 1.00 0.00 ATOM 1464 CA SER A 186 0.346 68.103 5.754 1.00 0.00 ATOM 1465 CB SER A 186 0.984 68.999 6.797 1.00 0.00 ATOM 1466 OG SER A 186 1.404 70.223 6.256 1.00 0.00 ATOM 1467 O SER A 186 1.162 65.953 6.465 1.00 0.00 ATOM 1468 C SER A 186 0.206 66.724 6.421 1.00 0.00 ATOM 1469 N ALA A 187 -0.937 66.419 6.967 1.00 0.00 ATOM 1470 CA ALA A 187 -1.152 65.202 7.726 1.00 0.00 ATOM 1471 CB ALA A 187 -1.791 65.493 9.000 1.00 0.00 ATOM 1472 O ALA A 187 -2.131 63.049 7.346 1.00 0.00 ATOM 1473 C ALA A 187 -2.000 64.201 6.949 1.00 0.00 ATOM 1474 N GLY A 188 -2.577 64.636 5.834 1.00 0.00 ATOM 1475 CA GLY A 188 -3.436 63.760 5.041 1.00 0.00 ATOM 1476 O GLY A 188 -5.557 62.637 5.077 1.00 0.00 ATOM 1477 C GLY A 188 -4.876 63.560 5.521 1.00 0.00 ATOM 1478 N CYS A 189 -5.366 64.413 6.419 1.00 0.00 ATOM 1479 CA CYS A 189 -6.772 64.260 6.852 1.00 0.00 ATOM 1480 CB CYS A 189 -6.740 64.733 8.305 1.00 0.00 ATOM 1481 SG CYS A 189 -5.726 63.718 9.403 1.00 0.00 ATOM 1482 O CYS A 189 -7.120 66.062 5.294 1.00 0.00 ATOM 1483 C CYS A 189 -7.635 65.155 5.967 1.00 0.00 ATOM 1484 N ALA A 190 -8.958 64.972 5.988 1.00 0.00 ATOM 1485 CA ALA A 190 -9.844 65.825 5.210 1.00 0.00 ATOM 1486 CB ALA A 190 -11.151 65.186 5.037 1.00 0.00 ATOM 1487 O ALA A 190 -9.829 67.250 7.147 1.00 0.00 ATOM 1488 C ALA A 190 -10.001 67.165 5.927 1.00 0.00 ATOM 1489 N VAL A 191 -10.374 68.231 5.169 1.00 0.00 ATOM 1490 CA VAL A 191 -10.572 69.568 5.732 1.00 0.00 ATOM 1491 CB VAL A 191 -9.493 70.507 5.161 1.00 0.00 ATOM 1492 CG1 VAL A 191 -9.577 70.556 3.645 1.00 0.00 ATOM 1493 CG2 VAL A 191 -9.639 71.903 5.746 1.00 0.00 ATOM 1494 O VAL A 191 -12.372 70.142 4.272 1.00 0.00 ATOM 1495 C VAL A 191 -11.946 70.130 5.424 1.00 0.00 ATOM 1496 N VAL A 192 -12.625 70.562 6.470 1.00 0.00 ATOM 1497 CA VAL A 192 -13.950 71.152 6.321 1.00 0.00 ATOM 1498 CB VAL A 192 -14.996 70.392 7.157 1.00 0.00 ATOM 1499 CG1 VAL A 192 -16.359 71.058 7.034 1.00 0.00 ATOM 1500 CG2 VAL A 192 -15.077 68.936 6.716 1.00 0.00 ATOM 1501 O VAL A 192 -13.674 72.895 7.985 1.00 0.00 ATOM 1502 C VAL A 192 -13.830 72.610 6.773 1.00 0.00 ATOM 1503 N GLY A 193 -13.994 73.530 5.824 1.00 0.00 ATOM 1504 CA GLY A 193 -13.825 74.963 6.108 1.00 0.00 ATOM 1505 O GLY A 193 -16.175 75.413 6.037 1.00 0.00 ATOM 1506 C GLY A 193 -15.111 75.607 6.614 1.00 0.00 ATOM 1507 N LEU A 194 -15.017 76.322 7.731 1.00 0.00 ATOM 1508 CA LEU A 194 -16.166 77.086 8.226 1.00 0.00 ATOM 1509 CB LEU A 194 -16.414 76.696 9.677 1.00 0.00 ATOM 1510 CG LEU A 194 -16.783 75.243 9.984 1.00 0.00 ATOM 1511 CD1 LEU A 194 -16.980 75.073 11.476 1.00 0.00 ATOM 1512 CD2 LEU A 194 -18.047 74.853 9.230 1.00 0.00 ATOM 1513 O LEU A 194 -14.823 79.066 8.403 1.00 0.00 ATOM 1514 C LEU A 194 -15.940 78.585 8.165 1.00 0.00 ATOM 1515 N THR A 195 -16.995 79.329 7.862 1.00 0.00 ATOM 1516 CA THR A 195 -16.842 80.750 7.551 1.00 0.00 ATOM 1517 CB THR A 195 -17.380 81.065 6.144 1.00 0.00 ATOM 1518 CG2 THR A 195 -16.594 80.300 5.090 1.00 0.00 ATOM 1519 OG1 THR A 195 -18.762 80.699 6.066 1.00 0.00 ATOM 1520 O THR A 195 -17.720 82.874 8.233 1.00 0.00 ATOM 1521 C THR A 195 -17.561 81.680 8.530 1.00 0.00 ATOM 1522 N TYR A 196 -18.090 81.121 9.626 1.00 0.00 ATOM 1523 CA TYR A 196 -18.744 81.918 10.688 1.00 0.00 ATOM 1524 CB TYR A 196 -20.151 81.232 10.964 1.00 0.00 ATOM 1525 CG TYR A 196 -20.997 82.021 11.952 1.00 0.00 ATOM 1526 CD1 TYR A 196 -21.604 83.228 11.561 1.00 0.00 ATOM 1527 CD2 TYR A 196 -21.150 81.593 13.260 1.00 0.00 ATOM 1528 CE1 TYR A 196 -22.349 83.988 12.483 1.00 0.00 ATOM 1529 CE2 TYR A 196 -21.917 82.317 14.177 1.00 0.00 ATOM 1530 CZ TYR A 196 -22.511 83.503 13.787 1.00 0.00 ATOM 1531 OH TYR A 196 -23.272 84.222 14.709 1.00 0.00 ATOM 1532 O TYR A 196 -18.027 83.278 12.554 1.00 0.00 ATOM 1533 C TYR A 196 -17.702 82.476 11.660 1.00 0.00 ATOM 1534 N GLY A 197 -16.443 82.105 11.445 1.00 0.00 ATOM 1535 CA GLY A 197 -15.366 82.399 12.398 1.00 0.00 ATOM 1536 O GLY A 197 -14.659 84.204 10.984 1.00 0.00 ATOM 1537 C GLY A 197 -14.353 83.389 11.869 1.00 0.00 ATOM 1538 N TYR A 198 -13.138 83.306 12.396 1.00 0.00 ATOM 1539 CA TYR A 198 -12.168 84.383 12.204 1.00 0.00 ATOM 1540 CB TYR A 198 -11.231 84.264 13.532 1.00 0.00 ATOM 1541 CG TYR A 198 -12.044 84.533 14.807 1.00 0.00 ATOM 1542 CD1 TYR A 198 -12.727 83.512 15.454 1.00 0.00 ATOM 1543 CD2 TYR A 198 -12.172 85.830 15.278 1.00 0.00 ATOM 1544 CE1 TYR A 198 -13.504 83.789 16.585 1.00 0.00 ATOM 1545 CE2 TYR A 198 -12.960 86.116 16.380 1.00 0.00 ATOM 1546 CZ TYR A 198 -13.632 85.092 17.031 1.00 0.00 ATOM 1547 OH TYR A 198 -14.415 85.310 18.136 1.00 0.00 ATOM 1548 O TYR A 198 -11.163 85.588 10.407 1.00 0.00 ATOM 1549 C TYR A 198 -11.451 84.481 10.863 1.00 0.00 ATOM 1550 N ASN A 199 -11.230 83.341 10.204 1.00 0.00 ATOM 1551 CA ASN A 199 -10.595 83.333 8.899 1.00 0.00 ATOM 1552 CB ASN A 199 -9.703 82.540 8.468 1.00 0.00 ATOM 1553 CG ASN A 199 -8.368 83.139 8.877 1.00 0.00 ATOM 1554 ND2 ASN A 199 -7.811 82.661 10.005 1.00 0.00 ATOM 1555 OD1 ASN A 199 -7.861 84.046 8.211 1.00 0.00 ATOM 1556 O ASN A 199 -12.795 83.709 8.009 1.00 0.00 ATOM 1557 C ASN A 199 -11.568 83.787 7.826 1.00 0.00 ATOM 1558 N TYR A 200 -11.022 84.265 6.709 1.00 0.00 ATOM 1559 CA TYR A 200 -11.824 84.771 5.591 1.00 0.00 ATOM 1560 CB TYR A 200 -11.076 85.901 4.893 1.00 0.00 ATOM 1561 CG TYR A 200 -11.969 87.038 4.465 1.00 0.00 ATOM 1562 CD1 TYR A 200 -12.416 87.987 5.383 1.00 0.00 ATOM 1563 CD2 TYR A 200 -12.385 87.158 3.143 1.00 0.00 ATOM 1564 CE1 TYR A 200 -13.254 89.029 4.995 1.00 0.00 ATOM 1565 CE2 TYR A 200 -13.223 88.192 2.741 1.00 0.00 ATOM 1566 CZ TYR A 200 -13.654 89.125 3.673 1.00 0.00 ATOM 1567 OH TYR A 200 -14.472 90.156 3.276 1.00 0.00 ATOM 1568 O TYR A 200 -11.190 82.801 4.374 1.00 0.00 ATOM 1569 C TYR A 200 -12.076 83.619 4.620 1.00 0.00 ATOM 1570 N ASN A 201 -13.362 83.564 4.064 1.00 0.00 ATOM 1571 CA ASN A 201 -13.725 82.529 3.103 1.00 0.00 ATOM 1572 CB ASN A 201 -15.161 82.723 2.654 1.00 0.00 ATOM 1573 CG ASN A 201 -15.650 81.664 1.706 1.00 0.00 ATOM 1574 ND2 ASN A 201 -15.914 82.074 0.491 1.00 0.00 ATOM 1575 OD1 ASN A 201 -15.715 80.479 2.048 1.00 0.00 ATOM 1576 O ASN A 201 -12.580 81.351 1.358 1.00 0.00 ATOM 1577 C ASN A 201 -12.844 82.444 1.853 1.00 0.00 ATOM 1578 N ILE A 202 -12.407 83.605 1.361 1.00 0.00 ATOM 1579 CA ILE A 202 -11.528 83.702 0.190 1.00 0.00 ATOM 1580 CB ILE A 202 -11.155 85.164 -0.113 1.00 0.00 ATOM 1581 CG1 ILE A 202 -12.380 85.940 -0.598 1.00 0.00 ATOM 1582 CG2 ILE A 202 -10.038 85.225 -1.144 1.00 0.00 ATOM 1583 CD1 ILE A 202 -12.172 87.437 -0.658 1.00 0.00 ATOM 1584 O ILE A 202 -9.884 82.094 -0.487 1.00 0.00 ATOM 1585 C ILE A 202 -10.242 82.902 0.384 1.00 0.00 ATOM 1586 N PRO A 203 -9.628 83.042 1.564 1.00 0.00 ATOM 1587 CA PRO A 203 -8.426 82.292 1.932 1.00 0.00 ATOM 1588 CB PRO A 203 -7.982 82.973 3.221 1.00 0.00 ATOM 1589 CG PRO A 203 -8.381 84.425 3.032 1.00 0.00 ATOM 1590 CD PRO A 203 -9.720 84.359 2.276 1.00 0.00 ATOM 1591 O PRO A 203 -7.952 79.991 1.606 1.00 0.00 ATOM 1592 C PRO A 203 -8.720 80.802 2.126 1.00 0.00 ATOM 1593 N ILE A 204 -9.839 80.437 2.746 1.00 0.00 ATOM 1594 CA ILE A 204 -10.083 79.008 2.920 1.00 0.00 ATOM 1595 CB ILE A 204 -11.316 78.830 3.824 1.00 0.00 ATOM 1596 CG1 ILE A 204 -11.012 79.319 5.243 1.00 0.00 ATOM 1597 CG2 ILE A 204 -11.758 77.376 3.843 1.00 0.00 ATOM 1598 CD1 ILE A 204 -12.234 79.431 6.126 1.00 0.00 ATOM 1599 O ILE A 204 -9.809 77.089 1.443 1.00 0.00 ATOM 1600 C ILE A 204 -10.306 78.230 1.601 1.00 0.00 ATOM 1601 N ALA A 205 -11.020 78.871 0.682 1.00 0.00 ATOM 1602 CA ALA A 205 -11.304 78.282 -0.604 1.00 0.00 ATOM 1603 CB ALA A 205 -12.307 79.125 -1.374 1.00 0.00 ATOM 1604 O ALA A 205 -10.126 77.486 -2.537 1.00 0.00 ATOM 1605 C ALA A 205 -10.053 78.043 -1.440 1.00 0.00 ATOM 1606 N GLN A 206 -8.859 78.484 -0.855 1.00 0.00 ATOM 1607 CA GLN A 206 -7.581 78.295 -1.534 1.00 0.00 ATOM 1608 CB GLN A 206 -6.462 79.017 -0.779 1.00 0.00 ATOM 1609 CG GLN A 206 -6.610 80.528 -0.745 1.00 0.00 ATOM 1610 CD GLN A 206 -6.638 81.141 -2.132 1.00 0.00 ATOM 1611 OE1 GLN A 206 -5.809 80.812 -2.986 1.00 0.00 ATOM 1612 NE2 GLN A 206 -7.589 82.039 -2.363 1.00 0.00 ATOM 1613 O GLN A 206 -6.585 76.390 -2.604 1.00 0.00 ATOM 1614 C GLN A 206 -7.250 76.811 -1.652 1.00 0.00 ATOM 1615 N SER A 207 -7.729 76.013 -0.703 1.00 0.00 ATOM 1616 CA SER A 207 -7.482 74.579 -0.732 1.00 0.00 ATOM 1617 CB SER A 207 -7.468 74.032 0.683 1.00 0.00 ATOM 1618 OG SER A 207 -8.726 74.133 1.297 1.00 0.00 ATOM 1619 O SER A 207 -8.415 72.665 -1.834 1.00 0.00 ATOM 1620 C SER A 207 -8.539 73.856 -1.558 1.00 0.00 ATOM 1621 N LYS A 208 -9.576 74.587 -1.951 1.00 0.00 ATOM 1622 CA LYS A 208 -10.700 73.998 -2.669 1.00 0.00 ATOM 1623 CB LYS A 208 -10.274 73.608 -4.086 1.00 0.00 ATOM 1624 CG LYS A 208 -9.844 74.779 -4.958 1.00 0.00 ATOM 1625 CD LYS A 208 -9.430 74.312 -6.347 1.00 0.00 ATOM 1626 CE LYS A 208 -8.963 75.477 -7.208 1.00 0.00 ATOM 1627 NZ LYS A 208 -8.455 75.022 -8.529 1.00 0.00 ATOM 1628 O LYS A 208 -11.440 71.721 -2.528 1.00 0.00 ATOM 1629 C LYS A 208 -11.252 72.784 -1.934 1.00 0.00 ATOM 1630 N PRO A 209 -11.506 72.947 -0.641 1.00 0.00 ATOM 1631 CA PRO A 209 -12.107 71.889 0.160 1.00 0.00 ATOM 1632 CB PRO A 209 -11.800 72.324 1.594 1.00 0.00 ATOM 1633 CG PRO A 209 -12.129 73.861 1.491 1.00 0.00 ATOM 1634 CD PRO A 209 -11.573 74.260 0.065 1.00 0.00 ATOM 1635 O PRO A 209 -14.337 72.517 -0.452 1.00 0.00 ATOM 1636 C PRO A 209 -13.545 71.598 -0.251 1.00 0.00 ATOM 1637 N ASP A 210 -13.899 70.318 -0.281 1.00 0.00 ATOM 1638 CA ASP A 210 -15.250 69.906 -0.648 1.00 0.00 ATOM 1639 CB ASP A 210 -15.299 68.392 -0.870 1.00 0.00 ATOM 1640 CG ASP A 210 -14.584 67.916 -2.128 1.00 0.00 ATOM 1641 OD1 ASP A 210 -14.266 68.739 -2.954 1.00 0.00 ATOM 1642 OD2 ASP A 210 -14.225 66.766 -2.184 1.00 0.00 ATOM 1643 O ASP A 210 -17.452 70.544 0.057 1.00 0.00 ATOM 1644 C ASP A 210 -16.297 70.284 0.392 1.00 0.00 ATOM 1645 N TRP A 211 -15.877 70.289 1.643 1.00 0.00 ATOM 1646 CA TRP A 211 -16.786 70.592 2.741 1.00 0.00 ATOM 1647 CB TRP A 211 -16.579 69.628 3.910 1.00 0.00 ATOM 1648 CG TRP A 211 -16.773 68.189 3.539 1.00 0.00 ATOM 1649 CD1 TRP A 211 -17.956 67.512 3.486 1.00 0.00 ATOM 1650 CD2 TRP A 211 -15.756 67.250 3.168 1.00 0.00 ATOM 1651 CE2 TRP A 211 -16.396 66.024 2.903 1.00 0.00 ATOM 1652 CE3 TRP A 211 -14.365 67.329 3.033 1.00 0.00 ATOM 1653 NE1 TRP A 211 -17.741 66.209 3.106 1.00 0.00 ATOM 1654 CZ2 TRP A 211 -15.700 64.891 2.516 1.00 0.00 ATOM 1655 CZ3 TRP A 211 -13.668 66.190 2.642 1.00 0.00 ATOM 1656 CH2 TRP A 211 -14.315 65.009 2.392 1.00 0.00 ATOM 1657 O TRP A 211 -15.493 72.411 3.623 1.00 0.00 ATOM 1658 C TRP A 211 -16.581 72.036 3.186 1.00 0.00 ATOM 1659 N ILE A 212 -17.647 72.828 3.113 1.00 0.00 ATOM 1660 CA ILE A 212 -17.596 74.190 3.660 1.00 0.00 ATOM 1661 CB ILE A 212 -17.187 75.186 2.545 1.00 0.00 ATOM 1662 CG1 ILE A 212 -15.766 74.886 2.044 1.00 0.00 ATOM 1663 CG2 ILE A 212 -17.236 76.617 3.086 1.00 0.00 ATOM 1664 CD1 ILE A 212 -15.363 75.689 0.799 1.00 0.00 ATOM 1665 O ILE A 212 -20.000 74.363 3.638 1.00 0.00 ATOM 1666 C ILE A 212 -18.950 74.587 4.246 1.00 0.00 ATOM 1667 N PHE A 213 -18.914 75.216 5.420 1.00 0.00 ATOM 1668 CA PHE A 213 -20.108 75.653 6.137 1.00 0.00 ATOM 1669 CB PHE A 213 -20.384 74.613 7.244 1.00 0.00 ATOM 1670 CG PHE A 213 -20.443 73.191 6.770 1.00 0.00 ATOM 1671 CD1 PHE A 213 -21.443 72.776 5.898 1.00 0.00 ATOM 1672 CD2 PHE A 213 -19.511 72.260 7.221 1.00 0.00 ATOM 1673 CE1 PHE A 213 -21.516 71.450 5.478 1.00 0.00 ATOM 1674 CE2 PHE A 213 -19.576 70.931 6.806 1.00 0.00 ATOM 1675 CZ PHE A 213 -20.580 70.525 5.936 1.00 0.00 ATOM 1676 O PHE A 213 -19.104 77.462 7.308 1.00 0.00 ATOM 1677 C PHE A 213 -20.061 77.069 6.648 1.00 0.00 ATOM 1678 N ASP A 214 -21.133 77.818 6.412 1.00 0.00 ATOM 1679 CA ASP A 214 -21.231 79.144 7.025 1.00 0.00 ATOM 1680 CB ASP A 214 -21.875 80.131 6.046 1.00 0.00 ATOM 1681 CG ASP A 214 -23.301 79.778 5.644 1.00 0.00 ATOM 1682 OD1 ASP A 214 -23.766 78.732 6.031 1.00 0.00 ATOM 1683 OD2 ASP A 214 -23.964 80.620 5.087 1.00 0.00 ATOM 1684 O ASP A 214 -22.240 80.256 8.908 1.00 0.00 ATOM 1685 C ASP A 214 -22.036 79.181 8.339 1.00 0.00 ATOM 1686 N ASP A 215 -22.649 78.045 8.681 1.00 0.00 ATOM 1687 CA ASP A 215 -23.431 77.892 9.891 1.00 0.00 ATOM 1688 CB ASP A 215 -24.925 78.062 9.604 1.00 0.00 ATOM 1689 CG ASP A 215 -25.789 78.238 10.845 1.00 0.00 ATOM 1690 OD1 ASP A 215 -25.240 78.347 11.914 1.00 0.00 ATOM 1691 OD2 ASP A 215 -26.976 78.416 10.698 1.00 0.00 ATOM 1692 O ASP A 215 -22.771 75.591 9.665 1.00 0.00 ATOM 1693 C ASP A 215 -23.063 76.512 10.428 1.00 0.00 ATOM 1694 N PHE A 216 -23.067 76.366 11.861 1.00 0.00 ATOM 1695 CA PHE A 216 -22.618 75.148 12.525 1.00 0.00 ATOM 1696 CB PHE A 216 -22.807 75.278 14.036 1.00 0.00 ATOM 1697 CG PHE A 216 -21.700 76.026 14.723 1.00 0.00 ATOM 1698 CD1 PHE A 216 -21.685 77.413 14.735 1.00 0.00 ATOM 1699 CD2 PHE A 216 -20.672 75.346 15.358 1.00 0.00 ATOM 1700 CE1 PHE A 216 -20.665 78.103 15.364 1.00 0.00 ATOM 1701 CE2 PHE A 216 -19.653 76.033 15.990 1.00 0.00 ATOM 1702 CZ PHE A 216 -19.651 77.414 15.992 1.00 0.00 ATOM 1703 O PHE A 216 -22.849 72.849 11.874 1.00 0.00 ATOM 1704 C PHE A 216 -23.420 73.924 12.080 1.00 0.00 ATOM 1705 N ALA A 217 -24.751 74.057 11.936 1.00 0.00 ATOM 1706 CA ALA A 217 -25.622 72.955 11.532 1.00 0.00 ATOM 1707 CB ALA A 217 -27.003 73.271 11.755 1.00 0.00 ATOM 1708 O ALA A 217 -25.663 71.298 9.829 1.00 0.00 ATOM 1709 C ALA A 217 -25.335 72.444 10.132 1.00 0.00 ATOM 1710 N ASP A 218 -24.786 73.277 9.314 1.00 0.00 ATOM 1711 CA ASP A 218 -24.438 72.872 7.925 1.00 0.00 ATOM 1712 CB ASP A 218 -23.912 74.058 7.115 1.00 0.00 ATOM 1713 CG ASP A 218 -24.985 75.044 6.671 1.00 0.00 ATOM 1714 OD1 ASP A 218 -26.143 74.714 6.772 1.00 0.00 ATOM 1715 OD2 ASP A 218 -24.651 76.166 6.382 1.00 0.00 ATOM 1716 O ASP A 218 -23.334 70.893 7.157 1.00 0.00 ATOM 1717 C ASP A 218 -23.412 71.761 8.032 1.00 0.00 ATOM 1718 N ILE A 219 -22.555 71.734 9.133 1.00 0.00 ATOM 1719 CA ILE A 219 -21.514 70.724 9.266 1.00 0.00 ATOM 1720 CB ILE A 219 -20.645 70.963 10.559 1.00 0.00 ATOM 1721 CG1 ILE A 219 -19.983 72.342 10.538 1.00 0.00 ATOM 1722 CG2 ILE A 219 -19.551 69.903 10.710 1.00 0.00 ATOM 1723 CD1 ILE A 219 -19.645 72.876 11.915 1.00 0.00 ATOM 1724 O ILE A 219 -21.395 68.329 8.991 1.00 0.00 ATOM 1725 C ILE A 219 -22.083 69.304 9.286 1.00 0.00 ATOM 1726 N LEU A 220 -23.325 69.214 9.736 1.00 0.00 ATOM 1727 CA LEU A 220 -23.921 67.917 10.047 1.00 0.00 ATOM 1728 CB LEU A 220 -25.299 68.096 10.693 1.00 0.00 ATOM 1729 CG LEU A 220 -25.290 68.742 12.087 1.00 0.00 ATOM 1730 CD1 LEU A 220 -26.716 68.996 12.555 1.00 0.00 ATOM 1731 CD2 LEU A 220 -24.554 67.833 13.062 1.00 0.00 ATOM 1732 O LEU A 220 -24.022 65.850 8.890 1.00 0.00 ATOM 1733 C LEU A 220 -24.073 67.066 8.809 1.00 0.00 ATOM 1734 N LYS A 221 -24.262 67.725 7.666 1.00 0.00 ATOM 1735 CA LYS A 221 -24.461 67.028 6.402 1.00 0.00 ATOM 1736 CB LYS A 221 -25.433 67.929 5.544 1.00 0.00 ATOM 1737 CG LYS A 221 -25.897 67.354 4.211 1.00 0.00 ATOM 1738 CD LYS A 221 -26.930 68.319 3.598 1.00 0.00 ATOM 1739 CE LYS A 221 -27.644 67.679 2.426 1.00 0.00 ATOM 1740 NZ LYS A 221 -27.021 68.085 1.122 1.00 0.00 ATOM 1741 O LYS A 221 -23.168 65.581 4.990 1.00 0.00 ATOM 1742 C LYS A 221 -23.207 66.253 6.022 1.00 0.00 ATOM 1743 N ILE A 222 -22.136 66.390 6.913 1.00 0.00 ATOM 1744 CA ILE A 222 -20.881 65.692 6.671 1.00 0.00 ATOM 1745 CB ILE A 222 -19.647 66.430 7.197 1.00 0.00 ATOM 1746 CG1 ILE A 222 -19.729 66.683 8.703 1.00 0.00 ATOM 1747 CG2 ILE A 222 -19.502 67.749 6.448 1.00 0.00 ATOM 1748 CD1 ILE A 222 -18.455 67.292 9.283 1.00 0.00 ATOM 1749 O ILE A 222 -20.190 63.417 6.921 1.00 0.00 ATOM 1750 C ILE A 222 -20.918 64.315 7.328 1.00 0.00 ATOM 1751 N THR A 223 -21.792 64.122 8.307 1.00 0.00 ATOM 1752 CA THR A 223 -21.857 62.829 8.976 1.00 0.00 ATOM 1753 CB THR A 223 -22.587 63.062 10.313 1.00 0.00 ATOM 1754 CG2 THR A 223 -22.662 61.771 11.113 1.00 0.00 ATOM 1755 OG1 THR A 223 -21.887 64.053 11.077 1.00 0.00 ATOM 1756 O THR A 223 -23.745 61.825 7.887 1.00 0.00 ATOM 1757 C THR A 223 -22.556 61.726 8.193 1.00 0.00 ATOM 1758 N GLN A 224 -21.810 60.689 7.872 1.00 0.00 ATOM 1759 CA GLN A 224 -22.355 59.578 7.093 1.00 0.00 ATOM 1760 CB GLN A 224 -21.416 59.208 5.942 1.00 0.00 ATOM 1761 CG GLN A 224 -21.159 60.340 4.962 1.00 0.00 ATOM 1762 CD GLN A 224 -22.425 60.805 4.259 1.00 0.00 ATOM 1763 OE1 GLN A 224 -23.056 60.042 3.529 1.00 0.00 ATOM 1764 NE2 GLN A 224 -22.796 62.060 4.474 1.00 0.00 ATOM 1765 O GLN A 224 -22.327 58.437 9.185 1.00 0.00 ATOM 1766 C GLN A 224 -22.591 58.352 7.969 1.00 0.00 ENDMDL EXPDTA 2hszA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hszA ATOM 1 N MET A 1 -23.479 56.361 7.577 1.00 0.00 ATOM 2 CA MET A 1 -23.377 56.363 6.117 1.00 0.00 ATOM 3 CB MET A 1 -24.676 56.895 5.469 1.00 0.00 ATOM 4 CG MET A 1 -25.253 56.036 4.266 1.00 0.00 ATOM 5 SD MET A 1 -25.145 54.029 4.439 1.00 0.00 ATOM 6 CE MET A 1 -26.128 53.445 2.836 1.00 0.00 ATOM 7 O MET A 1 -22.003 57.437 4.444 1.00 0.00 ATOM 8 C MET A 1 -22.140 57.157 5.647 1.00 0.00 ATOM 9 N THR A 2 -21.248 57.535 6.577 1.00 0.00 ATOM 10 CA THR A 2 -19.922 58.050 6.197 1.00 0.00 ATOM 11 CB THR A 2 -19.625 59.462 6.758 1.00 0.00 ATOM 12 CG2 THR A 2 -20.880 60.330 6.783 1.00 0.00 ATOM 13 OG1 THR A 2 -19.096 59.324 8.071 1.00 0.00 ATOM 14 O THR A 2 -18.957 56.137 7.345 1.00 0.00 ATOM 15 C THR A 2 -18.779 57.115 6.618 1.00 0.00 ATOM 16 N GLN A 3 -17.601 57.475 6.105 1.00 0.00 ATOM 17 CA GLN A 3 -16.326 56.810 6.341 1.00 0.00 ATOM 18 CB GLN A 3 -15.375 57.122 5.146 1.00 0.00 ATOM 19 CG GLN A 3 -14.263 58.187 5.358 1.00 0.00 ATOM 20 CD GLN A 3 -14.012 59.126 4.166 1.00 0.00 ATOM 21 OE1 GLN A 3 -14.962 59.672 3.604 1.00 0.00 ATOM 22 NE2 GLN A 3 -12.711 59.401 3.844 1.00 0.00 ATOM 23 O GLN A 3 -14.561 56.747 8.006 1.00 0.00 ATOM 24 C GLN A 3 -15.652 57.259 7.649 1.00 0.00 ATOM 25 N PHE A 4 -16.238 58.268 8.301 1.00 0.00 ATOM 26 CA PHE A 4 -15.558 58.954 9.416 1.00 0.00 ATOM 27 CB PHE A 4 -15.919 60.438 9.481 1.00 0.00 ATOM 28 CG PHE A 4 -15.752 61.157 8.201 1.00 0.00 ATOM 29 CD1 PHE A 4 -14.494 61.271 7.608 1.00 0.00 ATOM 30 CD2 PHE A 4 -16.838 61.750 7.587 1.00 0.00 ATOM 31 CE1 PHE A 4 -14.318 61.971 6.421 1.00 0.00 ATOM 32 CE2 PHE A 4 -16.677 62.439 6.399 1.00 0.00 ATOM 33 CZ PHE A 4 -15.418 62.560 5.817 1.00 0.00 ATOM 34 O PHE A 4 -17.012 57.849 10.955 1.00 0.00 ATOM 35 C PHE A 4 -15.886 58.290 10.737 1.00 0.00 ATOM 36 N LYS A 5 -14.865 58.177 11.573 1.00 0.00 ATOM 37 CA LYS A 5 -15.004 57.633 12.910 1.00 0.00 ATOM 38 CB LYS A 5 -13.978 56.516 13.098 1.00 0.00 ATOM 39 CG LYS A 5 -14.162 55.325 12.140 1.00 0.00 ATOM 40 CD LYS A 5 -15.546 54.753 12.168 1.00 0.00 ATOM 41 CE LYS A 5 -15.641 53.483 11.325 1.00 0.00 ATOM 42 NZ LYS A 5 -17.075 53.285 10.845 1.00 0.00 ATOM 43 O LYS A 5 -15.267 58.622 15.068 1.00 0.00 ATOM 44 C LYS A 5 -14.786 58.725 13.955 1.00 0.00 ATOM 45 N LEU A 6 -13.996 59.743 13.596 1.00 0.00 ATOM 46 CA LEU A 6 -13.595 60.787 14.520 1.00 0.00 ATOM 47 CB LEU A 6 -12.128 60.588 14.971 1.00 0.00 ATOM 48 CG LEU A 6 -11.538 61.571 15.996 1.00 0.00 ATOM 49 CD1 LEU A 6 -10.472 60.833 16.818 1.00 0.00 ATOM 50 CD2 LEU A 6 -10.964 62.781 15.333 1.00 0.00 ATOM 51 O LEU A 6 -13.348 62.235 12.599 1.00 0.00 ATOM 52 C LEU A 6 -13.711 62.114 13.794 1.00 0.00 ATOM 53 N ILE A 7 -14.206 63.122 14.510 1.00 0.00 ATOM 54 CA ILE A 7 -14.319 64.485 13.987 1.00 0.00 ATOM 55 CB ILE A 7 -15.778 65.010 13.897 1.00 0.00 ATOM 56 CG1 ILE A 7 -16.652 64.007 13.147 1.00 0.00 ATOM 57 CG2 ILE A 7 -15.816 66.389 13.120 1.00 0.00 ATOM 58 CD1 ILE A 7 -18.130 64.365 13.161 1.00 0.00 ATOM 59 O ILE A 7 -13.728 65.385 16.135 1.00 0.00 ATOM 60 C ILE A 7 -13.529 65.384 14.904 1.00 0.00 ATOM 61 N GLY A 8 -12.588 66.092 14.316 1.00 0.00 ATOM 62 CA GLY A 8 -11.724 66.987 15.034 1.00 0.00 ATOM 63 O GLY A 8 -12.537 68.753 13.631 1.00 0.00 ATOM 64 C GLY A 8 -12.053 68.429 14.727 1.00 0.00 ATOM 65 N PHE A 9 -11.732 69.298 15.683 1.00 0.00 ATOM 66 CA PHE A 9 -12.071 70.717 15.612 1.00 0.00 ATOM 67 CB PHE A 9 -13.291 71.028 16.507 1.00 0.00 ATOM 68 CG PHE A 9 -14.481 70.230 16.186 1.00 0.00 ATOM 69 CD1 PHE A 9 -14.662 68.989 16.757 1.00 0.00 ATOM 70 CD2 PHE A 9 -15.422 70.719 15.321 1.00 0.00 ATOM 71 CE1 PHE A 9 -15.765 68.201 16.434 1.00 0.00 ATOM 72 CE2 PHE A 9 -16.547 69.956 14.971 1.00 0.00 ATOM 73 CZ PHE A 9 -16.728 68.693 15.536 1.00 0.00 ATOM 74 O PHE A 9 -10.295 71.279 17.153 1.00 0.00 ATOM 75 C PHE A 9 -10.909 71.577 16.107 1.00 0.00 ATOM 76 N ASP A 10 -10.686 72.693 15.430 1.00 0.00 ATOM 77 CA ASP A 10 -9.916 73.804 16.038 1.00 0.00 ATOM 78 CB ASP A 10 -9.473 74.804 14.983 1.00 0.00 ATOM 79 CG ASP A 10 -8.443 75.809 15.522 1.00 0.00 ATOM 80 OD1 ASP A 10 -7.675 75.444 16.388 1.00 0.00 ATOM 81 OD2 ASP A 10 -8.406 76.965 15.103 1.00 0.00 ATOM 82 O ASP A 10 -12.007 74.160 17.189 1.00 0.00 ATOM 83 C ASP A 10 -10.811 74.456 17.100 1.00 0.00 ATOM 84 N LEU A 11 -10.248 75.333 17.907 1.00 0.00 ATOM 85 CA LEU A 11 -10.952 75.956 19.031 1.00 0.00 ATOM 86 CB LEU A 11 -10.111 75.768 20.319 1.00 0.00 ATOM 87 CG LEU A 11 -10.881 75.965 21.624 1.00 0.00 ATOM 88 CD1 LEU A 11 -9.995 75.661 22.841 1.00 0.00 ATOM 89 CD2 LEU A 11 -11.364 77.332 21.699 1.00 0.00 ATOM 90 O LEU A 11 -12.395 77.748 18.318 1.00 0.00 ATOM 91 C LEU A 11 -11.267 77.420 18.710 1.00 0.00 ATOM 92 N ASP A 12 -10.274 78.293 18.813 1.00 0.00 ATOM 93 CA ASP A 12 -10.438 79.708 18.451 1.00 0.00 ATOM 94 CB ASP A 12 -9.147 80.506 18.623 1.00 0.00 ATOM 95 CG ASP A 12 -8.521 80.344 19.993 1.00 0.00 ATOM 96 OD1 ASP A 12 -9.195 80.681 21.003 1.00 0.00 ATOM 97 OD2 ASP A 12 -7.368 79.826 20.018 1.00 0.00 ATOM 98 O ASP A 12 -10.062 79.556 16.084 1.00 0.00 ATOM 99 C ASP A 12 -10.822 79.899 16.983 1.00 0.00 ATOM 100 N GLY A 13 -11.965 80.499 16.747 1.00 0.00 ATOM 101 CA GLY A 13 -12.365 80.829 15.377 1.00 0.00 ATOM 102 O GLY A 13 -13.693 79.842 13.686 1.00 0.00 ATOM 103 C GLY A 13 -13.193 79.709 14.781 1.00 0.00 ATOM 104 N THR A 14 -13.342 78.608 15.508 1.00 0.00 ATOM 105 CA THR A 14 -14.140 77.477 15.017 1.00 0.00 ATOM 106 CB THR A 14 -13.250 76.241 14.765 1.00 0.00 ATOM 107 CG2 THR A 14 -14.116 74.927 14.666 1.00 0.00 ATOM 108 OG1 THR A 14 -12.438 76.419 13.572 1.00 0.00 ATOM 109 O THR A 14 -16.469 77.149 15.643 1.00 0.00 ATOM 110 C THR A 14 -15.298 77.165 16.008 1.00 0.00 ATOM 111 N LEU A 15 -14.925 76.868 17.247 1.00 0.00 ATOM 112 CA LEU A 15 -15.915 76.602 18.314 1.00 0.00 ATOM 113 CB LEU A 15 -15.371 75.546 19.237 1.00 0.00 ATOM 114 CG LEU A 15 -15.010 74.154 18.660 1.00 0.00 ATOM 115 CD1 LEU A 15 -14.377 73.257 19.777 1.00 0.00 ATOM 116 CD2 LEU A 15 -16.235 73.522 18.044 1.00 0.00 ATOM 117 O LEU A 15 -17.459 78.194 19.368 1.00 0.00 ATOM 118 C LEU A 15 -16.270 77.884 19.107 1.00 0.00 ATOM 119 N VAL A 16 -15.232 78.634 19.458 1.00 0.00 ATOM 120 CA VAL A 16 -15.345 79.835 20.258 1.00 0.00 ATOM 121 CB VAL A 16 -14.568 79.700 21.593 1.00 0.00 ATOM 122 CG1 VAL A 16 -14.789 80.971 22.555 1.00 0.00 ATOM 123 CG2 VAL A 16 -14.975 78.427 22.334 1.00 0.00 ATOM 124 O VAL A 16 -13.707 81.101 18.957 1.00 0.00 ATOM 125 C VAL A 16 -14.837 81.080 19.507 1.00 0.00 ATOM 126 N ASN A 17 -15.637 82.135 19.550 1.00 0.00 ATOM 127 CA ASN A 17 -15.211 83.453 19.080 1.00 0.00 ATOM 128 CB ASN A 17 -16.406 84.284 18.619 1.00 0.00 ATOM 129 CG ASN A 17 -15.986 85.588 17.982 1.00 0.00 ATOM 130 ND2 ASN A 17 -16.952 86.473 17.787 1.00 0.00 ATOM 131 OD1 ASN A 17 -14.826 85.795 17.660 1.00 0.00 ATOM 132 O ASN A 17 -15.076 84.908 21.001 1.00 0.00 ATOM 133 C ASN A 17 -14.476 84.157 20.223 1.00 0.00 ATOM 134 N SER A 18 -13.178 83.867 20.324 1.00 0.00 ATOM 135 CA SER A 18 -12.311 84.320 21.401 1.00 0.00 ATOM 136 CB SER A 18 -11.328 83.182 21.685 1.00 0.00 ATOM 137 OG SER A 18 -10.578 82.873 20.505 1.00 0.00 ATOM 138 O SER A 18 -10.855 86.185 22.012 1.00 0.00 ATOM 139 C SER A 18 -11.524 85.612 21.122 1.00 0.00 ATOM 140 N LEU A 19 -11.574 86.052 19.882 1.00 0.00 ATOM 141 CA LEU A 19 -10.871 87.243 19.439 1.00 0.00 ATOM 142 CB LEU A 19 -11.165 87.552 17.973 1.00 0.00 ATOM 143 CG LEU A 19 -10.610 88.880 17.438 1.00 0.00 ATOM 144 CD1 LEU A 19 -9.079 88.912 17.590 1.00 0.00 ATOM 145 CD2 LEU A 19 -11.053 89.155 16.015 1.00 0.00 ATOM 146 O LEU A 19 -10.206 89.106 20.777 1.00 0.00 ATOM 147 C LEU A 19 -11.142 88.435 20.384 1.00 0.00 ATOM 148 N PRO A 20 -12.416 88.681 20.796 1.00 0.00 ATOM 149 CA PRO A 20 -12.626 89.841 21.691 1.00 0.00 ATOM 150 CB PRO A 20 -14.132 89.789 22.000 1.00 0.00 ATOM 151 CG PRO A 20 -14.741 88.966 20.875 1.00 0.00 ATOM 152 CD PRO A 20 -13.687 87.985 20.484 1.00 0.00 ATOM 153 O PRO A 20 -11.257 90.817 23.401 1.00 0.00 ATOM 154 C PRO A 20 -11.818 89.800 22.986 1.00 0.00 ATOM 155 N ASP A 21 -11.746 88.639 23.619 1.00 0.00 ATOM 156 CA ASP A 21 -10.987 88.495 24.863 1.00 0.00 ATOM 157 CB ASP A 21 -11.435 87.236 25.624 1.00 0.00 ATOM 158 CG ASP A 21 -12.847 87.400 26.258 1.00 0.00 ATOM 159 OD1 ASP A 21 -13.209 88.524 26.648 1.00 0.00 ATOM 160 OD2 ASP A 21 -13.589 86.396 26.369 1.00 0.00 ATOM 161 O ASP A 21 -8.674 89.061 25.363 1.00 0.00 ATOM 162 C ASP A 21 -9.465 88.482 24.590 1.00 0.00 ATOM 163 N LEU A 22 -9.052 87.856 23.498 1.00 0.00 ATOM 164 CA LEU A 22 -7.635 87.903 23.123 1.00 0.00 ATOM 165 CB LEU A 22 -7.342 86.986 21.921 1.00 0.00 ATOM 166 CG LEU A 22 -7.379 85.503 22.254 1.00 0.00 ATOM 167 CD1 LEU A 22 -7.622 84.631 20.990 1.00 0.00 ATOM 168 CD2 LEU A 22 -6.108 85.040 23.063 1.00 0.00 ATOM 169 O LEU A 22 -6.078 89.695 23.383 1.00 0.00 ATOM 170 C LEU A 22 -7.139 89.326 22.884 1.00 0.00 ATOM 171 N ALA A 23 -7.929 90.133 22.167 1.00 0.00 ATOM 172 CA ALA A 23 -7.606 91.501 21.856 1.00 0.00 ATOM 173 CB ALA A 23 -8.639 92.072 20.847 1.00 0.00 ATOM 174 O ALA A 23 -6.660 93.149 23.281 1.00 0.00 ATOM 175 C ALA A 23 -7.575 92.361 23.107 1.00 0.00 ATOM 176 N LEU A 24 -8.572 92.201 23.983 1.00 0.00 ATOM 177 CA LEU A 24 -8.634 92.951 25.227 1.00 0.00 ATOM 178 CB LEU A 24 -9.910 92.626 26.007 1.00 0.00 ATOM 179 CG LEU A 24 -10.130 93.374 27.321 1.00 0.00 ATOM 180 O LEU A 24 -6.829 93.487 26.693 1.00 0.00 ATOM 181 C LEU A 24 -7.418 92.615 26.069 1.00 0.00 ATOM 182 N SER A 25 -7.045 91.342 26.097 1.00 0.00 ATOM 183 CA SER A 25 -5.947 90.902 26.979 1.00 0.00 ATOM 184 CB SER A 25 -5.983 89.370 27.123 1.00 0.00 ATOM 185 OG SER A 25 -7.230 88.975 27.678 1.00 0.00 ATOM 186 O SER A 25 -3.782 91.962 27.212 1.00 0.00 ATOM 187 C SER A 25 -4.600 91.407 26.453 1.00 0.00 ATOM 188 N ILE A 26 -4.369 91.235 25.148 1.00 0.00 ATOM 189 CA ILE A 26 -3.102 91.633 24.540 1.00 0.00 ATOM 190 CB ILE A 26 -2.957 91.071 23.097 1.00 0.00 ATOM 191 CG1 ILE A 26 -1.494 90.808 22.754 1.00 0.00 ATOM 192 CG2 ILE A 26 -3.627 91.988 22.029 1.00 0.00 ATOM 193 CD1 ILE A 26 -1.350 89.635 21.864 1.00 0.00 ATOM 194 O ILE A 26 -1.825 93.663 24.875 1.00 0.00 ATOM 195 C ILE A 26 -2.926 93.176 24.619 1.00 0.00 ATOM 196 N ASN A 27 -4.015 93.923 24.453 1.00 0.00 ATOM 197 CA ASN A 27 -3.964 95.375 24.522 1.00 0.00 ATOM 198 CB ASN A 27 -5.231 96.008 23.910 1.00 0.00 ATOM 199 CG ASN A 27 -5.198 96.018 22.396 1.00 0.00 ATOM 200 ND2 ASN A 27 -6.378 95.888 21.769 1.00 0.00 ATOM 201 OD1 ASN A 27 -4.126 96.103 21.789 1.00 0.00 ATOM 202 O ASN A 27 -3.029 96.901 26.064 1.00 0.00 ATOM 203 C ASN A 27 -3.716 95.908 25.917 1.00 0.00 ATOM 204 N SER A 28 -4.246 95.241 26.947 1.00 0.00 ATOM 205 CA SER A 28 -3.923 95.599 28.337 1.00 0.00 ATOM 206 CB SER A 28 -4.781 94.807 29.317 1.00 0.00 ATOM 207 OG SER A 28 -6.164 95.013 29.072 1.00 0.00 ATOM 208 O SER A 28 -1.809 96.218 29.332 1.00 0.00 ATOM 209 C SER A 28 -2.432 95.382 28.653 1.00 0.00 ATOM 210 N ALA A 29 -1.867 94.305 28.122 1.00 0.00 ATOM 211 CA ALA A 29 -0.439 94.012 28.312 1.00 0.00 ATOM 212 CB ALA A 29 -0.109 92.577 27.911 1.00 0.00 ATOM 213 O ALA A 29 1.440 95.450 28.054 1.00 0.00 ATOM 214 C ALA A 29 0.436 94.998 27.534 1.00 0.00 ATOM 215 N LEU A 30 0.079 95.291 26.286 1.00 0.00 ATOM 216 CA LEU A 30 0.761 96.381 25.533 1.00 0.00 ATOM 217 CB LEU A 30 0.145 96.558 24.147 1.00 0.00 ATOM 218 CG LEU A 30 0.499 95.473 23.123 1.00 0.00 ATOM 219 CD1 LEU A 30 -0.396 95.526 21.897 1.00 0.00 ATOM 220 CD2 LEU A 30 2.014 95.521 22.739 1.00 0.00 ATOM 221 O LEU A 30 1.826 98.367 26.386 1.00 0.00 ATOM 222 C LEU A 30 0.783 97.720 26.286 1.00 0.00 ATOM 223 N LYS A 31 -0.360 98.106 26.854 1.00 0.00 ATOM 224 CA LYS A 31 -0.457 99.279 27.699 1.00 0.00 ATOM 225 CB LYS A 31 -1.922 99.494 28.123 1.00 0.00 ATOM 226 CG LYS A 31 -2.149 100.708 28.994 1.00 0.00 ATOM 227 CD LYS A 31 -3.620 100.975 29.228 1.00 0.00 ATOM 228 CE LYS A 31 -3.815 102.065 30.297 1.00 0.00 ATOM 229 O LYS A 31 1.149 100.207 29.228 1.00 0.00 ATOM 230 C LYS A 31 0.498 99.203 28.905 1.00 0.00 ATOM 231 N ASP A 32 0.638 98.023 29.537 1.00 0.00 ATOM 232 CA ASP A 32 1.559 97.856 30.686 1.00 0.00 ATOM 233 CB ASP A 32 1.403 96.506 31.397 1.00 0.00 ATOM 234 CG ASP A 32 0.008 96.294 31.983 1.00 0.00 ATOM 235 OD1 ASP A 32 -0.744 97.291 32.181 1.00 0.00 ATOM 236 OD2 ASP A 32 -0.326 95.123 32.244 1.00 0.00 ATOM 237 O ASP A 32 3.822 98.299 31.212 1.00 0.00 ATOM 238 C ASP A 32 3.032 98.018 30.331 1.00 0.00 ATOM 239 N VAL A 33 3.407 97.859 29.069 1.00 0.00 ATOM 240 CA VAL A 33 4.799 98.113 28.664 1.00 0.00 ATOM 241 CB VAL A 33 5.418 96.885 27.977 1.00 0.00 ATOM 242 CG1 VAL A 33 5.603 95.766 29.002 1.00 0.00 ATOM 243 CG2 VAL A 33 4.567 96.409 26.779 1.00 0.00 ATOM 244 O VAL A 33 5.827 99.603 27.055 1.00 0.00 ATOM 245 C VAL A 33 4.889 99.400 27.804 1.00 0.00 ATOM 246 N ASN A 34 3.888 100.255 27.950 1.00 0.00 ATOM 247 CA ASN A 34 3.840 101.556 27.280 1.00 0.00 ATOM 248 CB ASN A 34 4.910 102.497 27.848 1.00 0.00 ATOM 249 CG ASN A 34 4.748 102.739 29.336 1.00 0.00 ATOM 250 ND2 ASN A 34 5.819 102.555 30.066 1.00 0.00 ATOM 251 OD1 ASN A 34 3.675 103.103 29.817 1.00 0.00 ATOM 252 O ASN A 34 4.736 102.240 25.155 1.00 0.00 ATOM 253 C ASN A 34 3.986 101.454 25.768 1.00 0.00 ATOM 254 N LEU A 35 3.268 100.487 25.176 1.00 0.00 ATOM 255 CA LEU A 35 3.194 100.317 23.728 1.00 0.00 ATOM 256 CB LEU A 35 3.652 98.927 23.289 1.00 0.00 ATOM 257 CG LEU A 35 5.153 98.644 23.448 1.00 0.00 ATOM 258 CD1 LEU A 35 5.528 97.199 23.100 1.00 0.00 ATOM 259 CD2 LEU A 35 5.990 99.640 22.621 1.00 0.00 ATOM 260 O LEU A 35 0.804 100.497 24.016 1.00 0.00 ATOM 261 C LEU A 35 1.778 100.621 23.245 1.00 0.00 ATOM 262 N PRO A 36 1.658 101.064 21.970 1.00 0.00 ATOM 263 CA PRO A 36 0.344 101.330 21.377 1.00 0.00 ATOM 264 CB PRO A 36 0.678 101.906 19.995 1.00 0.00 ATOM 265 CG PRO A 36 2.073 101.497 19.720 1.00 0.00 ATOM 266 CD PRO A 36 2.759 101.356 21.036 1.00 0.00 ATOM 267 O PRO A 36 -0.020 98.976 21.099 1.00 0.00 ATOM 268 C PRO A 36 -0.527 100.089 21.247 1.00 0.00 ATOM 269 N GLN A 37 -1.841 100.301 21.273 1.00 0.00 ATOM 270 CA GLN A 37 -2.835 99.219 21.218 1.00 0.00 ATOM 271 CB GLN A 37 -3.975 99.539 22.173 1.00 0.00 ATOM 272 CG GLN A 37 -3.474 99.599 23.607 1.00 0.00 ATOM 273 CD GLN A 37 -4.527 100.009 24.592 1.00 0.00 ATOM 274 OE1 GLN A 37 -5.599 99.416 24.659 1.00 0.00 ATOM 275 NE2 GLN A 37 -4.220 101.019 25.392 1.00 0.00 ATOM 276 O GLN A 37 -3.268 99.870 18.941 1.00 0.00 ATOM 277 C GLN A 37 -3.319 98.979 19.787 1.00 0.00 ATOM 278 N ALA A 38 -3.716 97.744 19.502 1.00 0.00 ATOM 279 CA ALA A 38 -4.033 97.310 18.141 1.00 0.00 ATOM 280 CB ALA A 38 -3.367 95.973 17.846 1.00 0.00 ATOM 281 O ALA A 38 -6.247 96.858 18.893 1.00 0.00 ATOM 282 C ALA A 38 -5.521 97.174 17.955 1.00 0.00 ATOM 283 N SER A 39 -5.978 97.415 16.733 1.00 0.00 ATOM 284 CA SER A 39 -7.356 97.060 16.352 1.00 0.00 ATOM 285 CB SER A 39 -7.648 97.478 14.906 1.00 0.00 ATOM 286 OG SER A 39 -7.068 96.570 13.973 1.00 0.00 ATOM 287 O SER A 39 -6.617 94.785 16.408 1.00 0.00 ATOM 288 C SER A 39 -7.568 95.560 16.477 1.00 0.00 ATOM 289 N GLU A 40 -8.833 95.171 16.618 1.00 0.00 ATOM 290 CA GLU A 40 -9.196 93.781 16.719 1.00 0.00 ATOM 291 CB GLU A 40 -10.671 93.602 17.090 1.00 0.00 ATOM 292 CG GLU A 40 -11.038 93.878 18.588 1.00 0.00 ATOM 293 CD GLU A 40 -11.224 95.381 18.968 1.00 0.00 ATOM 294 OE1 GLU A 40 -11.610 96.233 18.110 1.00 0.00 ATOM 295 OE2 GLU A 40 -10.971 95.717 20.160 1.00 0.00 ATOM 296 O GLU A 40 -8.506 91.855 15.505 1.00 0.00 ATOM 297 C GLU A 40 -8.898 93.025 15.427 1.00 0.00 ATOM 298 N ASN A 41 -9.054 93.659 14.259 1.00 0.00 ATOM 299 CA ASN A 41 -8.697 92.970 13.004 1.00 0.00 ATOM 300 CB ASN A 41 -9.053 93.773 11.758 1.00 0.00 ATOM 301 CG ASN A 41 -8.716 93.008 10.469 1.00 0.00 ATOM 302 ND2 ASN A 41 -9.593 92.112 10.105 1.00 0.00 ATOM 303 OD1 ASN A 41 -7.657 93.181 9.865 1.00 0.00 ATOM 304 O ASN A 41 -6.798 91.604 12.547 1.00 0.00 ATOM 305 C ASN A 41 -7.211 92.676 12.952 1.00 0.00 ATOM 306 N LEU A 42 -6.389 93.629 13.380 1.00 0.00 ATOM 307 CA LEU A 42 -4.939 93.396 13.402 1.00 0.00 ATOM 308 CB LEU A 42 -4.229 94.675 13.802 1.00 0.00 ATOM 309 CG LEU A 42 -2.722 94.740 13.657 1.00 0.00 ATOM 310 CD1 LEU A 42 -2.256 94.539 12.232 1.00 0.00 ATOM 311 CD2 LEU A 42 -2.262 96.118 14.187 1.00 0.00 ATOM 312 O LEU A 42 -3.766 91.365 14.009 1.00 0.00 ATOM 313 C LEU A 42 -4.547 92.262 14.359 1.00 0.00 ATOM 314 N VAL A 43 -5.097 92.280 15.575 1.00 0.00 ATOM 315 CA VAL A 43 -4.832 91.214 16.514 1.00 0.00 ATOM 316 CB VAL A 43 -5.615 91.384 17.847 1.00 0.00 ATOM 317 CG1 VAL A 43 -5.467 90.133 18.742 1.00 0.00 ATOM 318 CG2 VAL A 43 -5.160 92.667 18.589 1.00 0.00 ATOM 319 O VAL A 43 -4.466 88.874 16.058 1.00 0.00 ATOM 320 C VAL A 43 -5.175 89.873 15.876 1.00 0.00 ATOM 321 N MET A 44 -6.304 89.842 15.180 1.00 0.00 ATOM 322 CA MET A 44 -6.810 88.620 14.548 1.00 0.00 ATOM 323 CB MET A 44 -8.087 88.944 13.774 1.00 0.00 ATOM 324 CG MET A 44 -8.765 87.738 13.101 1.00 0.00 ATOM 325 SD MET A 44 -8.097 87.391 11.320 1.00 0.00 ATOM 326 CE MET A 44 -8.819 88.859 10.364 1.00 0.00 ATOM 327 O MET A 44 -5.608 86.827 13.588 1.00 0.00 ATOM 328 C MET A 44 -5.781 88.028 13.615 1.00 0.00 ATOM 329 N THR A 45 -5.070 88.884 12.877 1.00 0.00 ATOM 330 CA THR A 45 -4.103 88.446 11.891 1.00 0.00 ATOM 331 CB THR A 45 -3.665 89.596 10.939 1.00 0.00 ATOM 332 CG2 THR A 45 -4.874 90.253 10.244 1.00 0.00 ATOM 333 OG1 THR A 45 -2.914 90.579 11.685 1.00 0.00 ATOM 334 O THR A 45 -2.099 87.162 11.842 1.00 0.00 ATOM 335 C THR A 45 -2.863 87.812 12.530 1.00 0.00 ATOM 336 N TRP A 46 -2.683 87.979 13.845 1.00 0.00 ATOM 337 CA TRP A 46 -1.543 87.393 14.566 1.00 0.00 ATOM 338 CB TRP A 46 -1.137 88.283 15.710 1.00 0.00 ATOM 339 CG TRP A 46 -0.765 89.689 15.285 1.00 0.00 ATOM 340 CD1 TRP A 46 -0.260 90.093 14.070 1.00 0.00 ATOM 341 CD2 TRP A 46 -0.863 90.876 16.097 1.00 0.00 ATOM 342 CE2 TRP A 46 -0.398 91.959 15.313 1.00 0.00 ATOM 343 CE3 TRP A 46 -1.268 91.118 17.430 1.00 0.00 ATOM 344 NE1 TRP A 46 -0.051 91.462 14.084 1.00 0.00 ATOM 345 CZ2 TRP A 46 -0.361 93.266 15.797 1.00 0.00 ATOM 346 CZ3 TRP A 46 -1.265 92.432 17.892 1.00 0.00 ATOM 347 CH2 TRP A 46 -0.797 93.476 17.083 1.00 0.00 ATOM 348 O TRP A 46 -0.916 85.333 15.629 1.00 0.00 ATOM 349 C TRP A 46 -1.842 86.024 15.164 1.00 0.00 ATOM 350 N ILE A 47 -3.125 85.686 15.199 1.00 0.00 ATOM 351 CA ILE A 47 -3.628 84.458 15.771 1.00 0.00 ATOM 352 CB ILE A 47 -5.143 84.577 16.121 1.00 0.00 ATOM 353 CG1 ILE A 47 -5.434 85.673 17.167 1.00 0.00 ATOM 354 CG2 ILE A 47 -5.743 83.222 16.687 1.00 0.00 ATOM 355 CD1 ILE A 47 -6.990 85.836 17.466 1.00 0.00 ATOM 356 O ILE A 47 -3.767 83.352 13.597 1.00 0.00 ATOM 357 C ILE A 47 -3.464 83.274 14.799 1.00 0.00 ATOM 358 N GLY A 48 -3.059 82.130 15.338 1.00 0.00 ATOM 359 CA GLY A 48 -3.129 80.905 14.541 1.00 0.00 ATOM 360 O GLY A 48 -2.106 78.784 14.411 1.00 0.00 ATOM 361 C GLY A 48 -1.986 79.964 14.738 1.00 0.00 ATOM 362 N ASN A 49 -0.881 80.492 15.259 1.00 0.00 ATOM 363 CA ASN A 49 0.377 79.785 15.326 1.00 0.00 ATOM 364 CB ASN A 49 1.376 80.484 14.389 1.00 0.00 ATOM 365 CG ASN A 49 0.834 80.625 12.950 1.00 0.00 ATOM 366 ND2 ASN A 49 0.676 79.487 12.224 1.00 0.00 ATOM 367 OD1 ASN A 49 0.506 81.736 12.525 1.00 0.00 ATOM 368 O ASN A 49 2.171 79.589 16.922 1.00 0.00 ATOM 369 C ASN A 49 0.949 79.707 16.740 1.00 0.00 ATOM 370 N GLY A 50 0.074 79.848 17.736 1.00 0.00 ATOM 371 CA GLY A 50 0.446 79.744 19.122 1.00 0.00 ATOM 372 O GLY A 50 0.938 82.091 19.181 1.00 0.00 ATOM 373 C GLY A 50 0.730 81.051 19.818 1.00 0.00 ATOM 374 N ALA A 51 0.725 80.995 21.141 1.00 0.00 ATOM 375 CA ALA A 51 0.742 82.218 21.953 1.00 0.00 ATOM 376 CB ALA A 51 0.287 81.924 23.383 1.00 0.00 ATOM 377 O ALA A 51 2.175 84.136 21.964 1.00 0.00 ATOM 378 C ALA A 51 2.118 82.918 21.910 1.00 0.00 ATOM 379 N ASP A 52 3.210 82.173 21.757 1.00 0.00 ATOM 380 CA ASP A 52 4.516 82.828 21.604 1.00 0.00 ATOM 381 CB ASP A 52 5.654 81.834 21.646 1.00 0.00 ATOM 382 CG ASP A 52 6.053 81.469 23.079 1.00 0.00 ATOM 383 OD1 ASP A 52 5.930 82.318 23.985 1.00 0.00 ATOM 384 OD2 ASP A 52 6.482 80.324 23.285 1.00 0.00 ATOM 385 O ASP A 52 5.132 84.770 20.348 1.00 0.00 ATOM 386 C ASP A 52 4.628 83.637 20.328 1.00 0.00 ATOM 387 N VAL A 53 4.185 83.055 19.222 1.00 0.00 ATOM 388 CA VAL A 53 4.233 83.753 17.947 1.00 0.00 ATOM 389 CB VAL A 53 3.883 82.842 16.765 1.00 0.00 ATOM 390 CG1 VAL A 53 3.758 83.679 15.457 1.00 0.00 ATOM 391 CG2 VAL A 53 4.977 81.807 16.610 1.00 0.00 ATOM 392 O VAL A 53 3.631 86.035 17.541 1.00 0.00 ATOM 393 C VAL A 53 3.287 84.955 17.997 1.00 0.00 ATOM 394 N LEU A 54 2.099 84.765 18.559 1.00 0.00 ATOM 395 CA LEU A 54 1.138 85.889 18.740 1.00 0.00 ATOM 396 CB LEU A 54 -0.131 85.350 19.434 1.00 0.00 ATOM 397 CG LEU A 54 -1.184 86.341 19.976 1.00 0.00 ATOM 398 CD1 LEU A 54 -1.669 87.236 18.902 1.00 0.00 ATOM 399 CD2 LEU A 54 -2.383 85.593 20.561 1.00 0.00 ATOM 400 O LEU A 54 1.596 88.259 19.103 1.00 0.00 ATOM 401 C LEU A 54 1.746 87.089 19.517 1.00 0.00 ATOM 402 N SER A 55 2.417 86.782 20.618 1.00 0.00 ATOM 403 CA SER A 55 3.144 87.745 21.458 1.00 0.00 ATOM 404 CB SER A 55 3.744 87.028 22.693 1.00 0.00 ATOM 405 OG SER A 55 2.719 86.506 23.528 1.00 0.00 ATOM 406 O SER A 55 4.458 89.656 20.791 1.00 0.00 ATOM 407 C SER A 55 4.266 88.444 20.680 1.00 0.00 ATOM 408 N GLN A 56 5.029 87.681 19.908 1.00 0.00 ATOM 409 CA GLN A 56 6.113 88.260 19.126 1.00 0.00 ATOM 410 CB GLN A 56 6.975 87.145 18.504 1.00 0.00 ATOM 411 CG GLN A 56 8.254 87.630 17.852 1.00 0.00 ATOM 412 CD GLN A 56 9.279 88.129 18.879 1.00 0.00 ATOM 413 OE1 GLN A 56 9.751 87.348 19.711 1.00 0.00 ATOM 414 NE2 GLN A 56 9.633 89.429 18.819 1.00 0.00 ATOM 415 O GLN A 56 6.086 90.269 17.801 1.00 0.00 ATOM 416 C GLN A 56 5.565 89.184 18.024 1.00 0.00 ATOM 417 N ARG A 57 4.530 88.751 17.317 1.00 0.00 ATOM 418 CA ARG A 57 3.904 89.613 16.314 1.00 0.00 ATOM 419 CB ARG A 57 2.789 88.875 15.590 1.00 0.00 ATOM 420 CG ARG A 57 3.292 87.727 14.710 1.00 0.00 ATOM 421 CD ARG A 57 2.148 86.893 14.201 1.00 0.00 ATOM 422 NE ARG A 57 2.643 85.907 13.248 1.00 0.00 ATOM 423 CZ ARG A 57 2.032 84.780 12.932 1.00 0.00 ATOM 424 NH1 ARG A 57 0.873 84.454 13.473 1.00 0.00 ATOM 425 NH2 ARG A 57 2.613 83.958 12.074 1.00 0.00 ATOM 426 O ARG A 57 3.565 92.000 16.376 1.00 0.00 ATOM 427 C ARG A 57 3.376 90.903 16.945 1.00 0.00 ATOM 428 N ALA A 58 2.718 90.795 18.102 1.00 0.00 ATOM 429 CA ALA A 58 2.140 92.004 18.759 1.00 0.00 ATOM 430 CB ALA A 58 1.405 91.662 20.034 1.00 0.00 ATOM 431 O ALA A 58 3.059 94.213 18.692 1.00 0.00 ATOM 432 C ALA A 58 3.205 93.035 19.054 1.00 0.00 ATOM 433 N VAL A 59 4.264 92.584 19.726 1.00 0.00 ATOM 434 CA VAL A 59 5.299 93.477 20.229 1.00 0.00 ATOM 435 CB VAL A 59 6.223 92.778 21.248 1.00 0.00 ATOM 436 CG1 VAL A 59 7.493 93.521 21.430 1.00 0.00 ATOM 437 CG2 VAL A 59 5.529 92.692 22.612 1.00 0.00 ATOM 438 O VAL A 59 6.369 95.226 19.008 1.00 0.00 ATOM 439 C VAL A 59 6.057 94.044 19.030 1.00 0.00 ATOM 440 N ASP A 60 6.285 93.232 18.007 1.00 0.00 ATOM 441 CA ASP A 60 7.031 93.713 16.825 1.00 0.00 ATOM 442 CB ASP A 60 7.349 92.545 15.890 1.00 0.00 ATOM 443 CG ASP A 60 8.490 91.683 16.411 1.00 0.00 ATOM 444 OD1 ASP A 60 9.222 92.143 17.332 1.00 0.00 ATOM 445 OD2 ASP A 60 8.661 90.563 15.901 1.00 0.00 ATOM 446 O ASP A 60 6.886 95.809 15.680 1.00 0.00 ATOM 447 C ASP A 60 6.291 94.823 16.086 1.00 0.00 ATOM 448 N TRP A 61 4.975 94.664 15.973 1.00 0.00 ATOM 449 CA TRP A 61 4.101 95.647 15.353 1.00 0.00 ATOM 450 CB TRP A 61 2.668 95.110 15.259 1.00 0.00 ATOM 451 CG TRP A 61 1.721 96.218 14.882 1.00 0.00 ATOM 452 CD1 TRP A 61 1.508 96.699 13.630 1.00 0.00 ATOM 453 CD2 TRP A 61 0.954 97.046 15.768 1.00 0.00 ATOM 454 CE2 TRP A 61 0.284 97.994 14.973 1.00 0.00 ATOM 455 CE3 TRP A 61 0.752 97.068 17.143 1.00 0.00 ATOM 456 NE1 TRP A 61 0.632 97.744 13.674 1.00 0.00 ATOM 457 CZ2 TRP A 61 -0.592 98.937 15.508 1.00 0.00 ATOM 458 CZ3 TRP A 61 -0.115 97.996 17.667 1.00 0.00 ATOM 459 CH2 TRP A 61 -0.762 98.926 16.858 1.00 0.00 ATOM 460 O TRP A 61 4.241 98.053 15.611 1.00 0.00 ATOM 461 C TRP A 61 4.089 96.943 16.157 1.00 0.00 ATOM 462 N ALA A 62 3.874 96.809 17.461 1.00 0.00 ATOM 463 CA ALA A 62 3.712 97.969 18.339 1.00 0.00 ATOM 464 CB ALA A 62 3.176 97.540 19.722 1.00 0.00 ATOM 465 O ALA A 62 4.999 99.998 18.518 1.00 0.00 ATOM 466 C ALA A 62 5.005 98.755 18.470 1.00 0.00 ATOM 467 N CYS A 63 6.120 98.043 18.564 1.00 0.00 ATOM 468 CA CYS A 63 7.437 98.690 18.600 1.00 0.00 ATOM 469 CB CYS A 63 8.534 97.651 18.809 1.00 0.00 ATOM 470 SG CYS A 63 8.716 97.177 20.552 1.00 0.00 ATOM 471 O CYS A 63 8.261 100.615 17.428 1.00 0.00 ATOM 472 C CYS A 63 7.746 99.481 17.339 1.00 0.00 ATOM 473 N THR A 64 7.457 98.876 16.180 1.00 0.00 ATOM 474 CA THR A 64 7.595 99.561 14.882 1.00 0.00 ATOM 475 CB THR A 64 7.301 98.611 13.731 1.00 0.00 ATOM 476 O THR A 64 7.128 101.872 14.410 1.00 0.00 ATOM 477 C THR A 64 6.688 100.787 14.801 1.00 0.00 ATOM 478 N GLN A 65 5.430 100.630 15.202 1.00 0.00 ATOM 479 CA GLN A 65 4.513 101.764 15.297 1.00 0.00 ATOM 480 CB GLN A 65 3.183 101.298 15.878 1.00 0.00 ATOM 481 CG GLN A 65 2.072 102.313 15.811 1.00 0.00 ATOM 482 CD GLN A 65 1.220 102.141 14.584 1.00 0.00 ATOM 483 OE1 GLN A 65 1.682 101.641 13.550 1.00 0.00 ATOM 484 NE2 GLN A 65 -0.044 102.538 14.690 1.00 0.00 ATOM 485 O GLN A 65 5.034 104.074 15.745 1.00 0.00 ATOM 486 C GLN A 65 5.088 102.910 16.146 1.00 0.00 ATOM 487 N ALA A 66 5.675 102.578 17.296 1.00 0.00 ATOM 488 CA ALA A 66 6.095 103.560 18.290 1.00 0.00 ATOM 489 CB ALA A 66 5.792 103.025 19.706 1.00 0.00 ATOM 490 O ALA A 66 8.059 104.861 18.875 1.00 0.00 ATOM 491 C ALA A 66 7.583 103.954 18.180 1.00 0.00 ATOM 492 N GLU A 67 8.310 103.284 17.299 1.00 0.00 ATOM 493 CA GLU A 67 9.748 103.473 17.192 1.00 0.00 ATOM 494 CB GLU A 67 10.067 104.844 16.591 1.00 0.00 ATOM 495 CG GLU A 67 9.441 105.031 15.226 1.00 0.00 ATOM 496 CD GLU A 67 10.108 106.137 14.424 1.00 0.00 ATOM 497 OE1 GLU A 67 10.024 107.316 14.838 1.00 0.00 ATOM 498 OE2 GLU A 67 10.716 105.821 13.378 1.00 0.00 ATOM 499 O GLU A 67 11.249 104.113 18.950 1.00 0.00 ATOM 500 C GLU A 67 10.417 103.301 18.544 1.00 0.00 ATOM 501 N LYS A 68 10.027 102.232 19.237 1.00 0.00 ATOM 502 CA LYS A 68 10.618 101.849 20.513 1.00 0.00 ATOM 503 CB LYS A 68 9.566 101.901 21.640 1.00 0.00 ATOM 504 CG LYS A 68 9.118 103.302 22.073 1.00 0.00 ATOM 505 CD LYS A 68 7.835 103.297 22.942 1.00 0.00 ATOM 506 CE LYS A 68 8.106 103.101 24.441 1.00 0.00 ATOM 507 O LYS A 68 10.783 99.748 19.379 1.00 0.00 ATOM 508 C LYS A 68 11.124 100.423 20.352 1.00 0.00 ATOM 509 N GLU A 69 11.926 99.956 21.297 1.00 0.00 ATOM 510 CA GLU A 69 12.236 98.536 21.411 1.00 0.00 ATOM 511 CB GLU A 69 13.702 98.259 21.061 1.00 0.00 ATOM 512 CG GLU A 69 14.141 98.718 19.663 1.00 0.00 ATOM 513 CD GLU A 69 15.623 99.067 19.606 1.00 0.00 ATOM 514 O GLU A 69 11.858 99.002 23.728 1.00 0.00 ATOM 515 C GLU A 69 11.939 98.141 22.856 1.00 0.00 ATOM 516 N LEU A 70 11.724 96.856 23.091 1.00 0.00 ATOM 517 CA LEU A 70 11.628 96.307 24.438 1.00 0.00 ATOM 518 CB LEU A 70 10.486 95.289 24.527 1.00 0.00 ATOM 519 CG LEU A 70 9.052 95.794 24.481 1.00 0.00 ATOM 520 CD1 LEU A 70 8.140 94.605 24.845 1.00 0.00 ATOM 521 CD2 LEU A 70 8.838 97.010 25.409 1.00 0.00 ATOM 522 O LEU A 70 13.478 95.014 23.772 1.00 0.00 ATOM 523 C LEU A 70 12.914 95.567 24.699 1.00 0.00 ATOM 524 N THR A 71 13.352 95.510 25.950 1.00 0.00 ATOM 525 CA THR A 71 14.426 94.600 26.354 1.00 0.00 ATOM 526 CB THR A 71 14.977 94.974 27.723 1.00 0.00 ATOM 527 CG2 THR A 71 15.433 96.456 27.779 1.00 0.00 ATOM 528 OG1 THR A 71 13.951 94.757 28.699 1.00 0.00 ATOM 529 O THR A 71 12.611 93.035 26.467 1.00 0.00 ATOM 530 C THR A 71 13.833 93.195 26.476 1.00 0.00 ATOM 531 N GLU A 72 14.668 92.174 26.617 1.00 0.00 ATOM 532 CA GLU A 72 14.138 90.813 26.819 1.00 0.00 ATOM 533 CB GLU A 72 15.267 89.773 26.846 1.00 0.00 ATOM 534 CG GLU A 72 14.794 88.306 26.911 1.00 0.00 ATOM 535 CD GLU A 72 13.756 87.962 25.826 1.00 0.00 ATOM 536 OE1 GLU A 72 13.987 88.326 24.654 1.00 0.00 ATOM 537 OE2 GLU A 72 12.711 87.343 26.142 1.00 0.00 ATOM 538 O GLU A 72 12.246 90.116 28.144 1.00 0.00 ATOM 539 C GLU A 72 13.309 90.723 28.116 1.00 0.00 ATOM 540 N ASP A 73 13.781 91.331 29.196 1.00 0.00 ATOM 541 CA ASP A 73 13.001 91.285 30.444 1.00 0.00 ATOM 542 CB ASP A 73 13.806 91.829 31.622 1.00 0.00 ATOM 543 CG ASP A 73 14.782 90.785 32.185 1.00 0.00 ATOM 544 OD1 ASP A 73 14.369 89.622 32.454 1.00 0.00 ATOM 545 OD2 ASP A 73 15.966 91.130 32.353 1.00 0.00 ATOM 546 O ASP A 73 10.631 91.454 30.831 1.00 0.00 ATOM 547 C ASP A 73 11.631 91.966 30.309 1.00 0.00 ATOM 548 N GLU A 74 11.573 93.077 29.565 1.00 0.00 ATOM 549 CA GLU A 74 10.290 93.723 29.272 1.00 0.00 ATOM 550 CB GLU A 74 10.483 95.070 28.591 1.00 0.00 ATOM 551 CG GLU A 74 11.280 96.039 29.441 1.00 0.00 ATOM 552 CD GLU A 74 11.571 97.386 28.770 1.00 0.00 ATOM 553 OE1 GLU A 74 11.574 97.493 27.532 1.00 0.00 ATOM 554 OE2 GLU A 74 11.821 98.347 29.513 1.00 0.00 ATOM 555 O GLU A 74 8.178 92.776 28.682 1.00 0.00 ATOM 556 C GLU A 74 9.376 92.838 28.427 1.00 0.00 ATOM 557 N PHE A 75 9.943 92.135 27.447 1.00 0.00 ATOM 558 CA PHE A 75 9.172 91.239 26.637 1.00 0.00 ATOM 559 CB PHE A 75 10.002 90.751 25.441 1.00 0.00 ATOM 560 CG PHE A 75 9.243 89.853 24.490 1.00 0.00 ATOM 561 CD1 PHE A 75 7.989 90.208 24.013 1.00 0.00 ATOM 562 CD2 PHE A 75 9.803 88.646 24.067 1.00 0.00 ATOM 563 CE1 PHE A 75 7.310 89.373 23.130 1.00 0.00 ATOM 564 CE2 PHE A 75 9.122 87.804 23.196 1.00 0.00 ATOM 565 CZ PHE A 75 7.883 88.168 22.726 1.00 0.00 ATOM 566 O PHE A 75 7.447 89.722 27.341 1.00 0.00 ATOM 567 C PHE A 75 8.632 90.069 27.464 1.00 0.00 ATOM 568 N LYS A 76 9.481 89.458 28.291 1.00 0.00 ATOM 569 CA LYS A 76 9.002 88.440 29.261 1.00 0.00 ATOM 570 CB LYS A 76 10.146 87.925 30.144 1.00 0.00 ATOM 571 CG LYS A 76 11.068 87.001 29.389 1.00 0.00 ATOM 572 CD LYS A 76 11.965 86.208 30.320 1.00 0.00 ATOM 573 CE LYS A 76 13.220 86.918 30.687 1.00 0.00 ATOM 574 NZ LYS A 76 13.985 86.037 31.630 1.00 0.00 ATOM 575 O LYS A 76 6.880 88.252 30.324 1.00 0.00 ATOM 576 C LYS A 76 7.868 88.953 30.133 1.00 0.00 ATOM 577 N TYR A 77 8.006 90.183 30.638 1.00 0.00 ATOM 578 CA TYR A 77 6.971 90.841 31.447 1.00 0.00 ATOM 579 CB TYR A 77 7.462 92.203 31.909 1.00 0.00 ATOM 580 CG TYR A 77 6.454 93.042 32.645 1.00 0.00 ATOM 581 CD1 TYR A 77 6.140 92.789 33.982 1.00 0.00 ATOM 582 CD2 TYR A 77 5.846 94.136 32.024 1.00 0.00 ATOM 583 CE1 TYR A 77 5.223 93.596 34.667 1.00 0.00 ATOM 584 CE2 TYR A 77 4.949 94.934 32.693 1.00 0.00 ATOM 585 CZ TYR A 77 4.642 94.665 34.012 1.00 0.00 ATOM 586 OH TYR A 77 3.760 95.476 34.670 1.00 0.00 ATOM 587 O TYR A 77 4.595 90.619 31.168 1.00 0.00 ATOM 588 C TYR A 77 5.664 90.998 30.670 1.00 0.00 ATOM 589 N PHE A 78 5.758 91.530 29.451 1.00 0.00 ATOM 590 CA PHE A 78 4.602 91.618 28.588 1.00 0.00 ATOM 591 CB PHE A 78 5.003 92.157 27.189 1.00 0.00 ATOM 592 CG PHE A 78 3.977 91.895 26.137 1.00 0.00 ATOM 593 CD1 PHE A 78 2.919 92.755 25.959 1.00 0.00 ATOM 594 CD2 PHE A 78 4.050 90.740 25.346 1.00 0.00 ATOM 595 CE1 PHE A 78 1.925 92.480 25.023 1.00 0.00 ATOM 596 CE2 PHE A 78 3.079 90.472 24.399 1.00 0.00 ATOM 597 CZ PHE A 78 2.021 91.373 24.235 1.00 0.00 ATOM 598 O PHE A 78 2.646 90.214 28.605 1.00 0.00 ATOM 599 C PHE A 78 3.876 90.275 28.486 1.00 0.00 ATOM 600 N LYS A 79 4.625 89.203 28.244 1.00 0.00 ATOM 601 CA LYS A 79 4.026 87.888 28.081 1.00 0.00 ATOM 602 CB LYS A 79 5.023 86.872 27.534 1.00 0.00 ATOM 603 CG LYS A 79 5.272 87.113 26.049 1.00 0.00 ATOM 604 CD LYS A 79 6.159 86.080 25.446 1.00 0.00 ATOM 605 CE LYS A 79 7.549 86.248 25.891 1.00 0.00 ATOM 606 NZ LYS A 79 8.278 85.104 25.364 1.00 0.00 ATOM 607 O LYS A 79 2.262 86.814 29.228 1.00 0.00 ATOM 608 C LYS A 79 3.353 87.378 29.338 1.00 0.00 ATOM 609 N ARG A 80 3.952 87.628 30.509 1.00 0.00 ATOM 610 CA ARG A 80 3.333 87.260 31.803 1.00 0.00 ATOM 611 CB ARG A 80 4.284 87.547 32.953 1.00 0.00 ATOM 612 CG ARG A 80 5.496 86.603 33.003 1.00 0.00 ATOM 613 CD ARG A 80 6.099 86.558 34.405 1.00 0.00 ATOM 614 NE ARG A 80 6.481 87.895 34.889 1.00 0.00 ATOM 615 CZ ARG A 80 7.595 88.509 34.518 1.00 0.00 ATOM 616 NH1 ARG A 80 8.444 87.911 33.695 1.00 0.00 ATOM 617 NH2 ARG A 80 7.887 89.693 34.983 1.00 0.00 ATOM 618 O ARG A 80 1.010 87.449 32.455 1.00 0.00 ATOM 619 C ARG A 80 2.018 88.020 32.021 1.00 0.00 ATOM 620 N GLN A 81 2.006 89.300 31.701 1.00 0.00 ATOM 621 CA GLN A 81 0.789 90.086 31.880 1.00 0.00 ATOM 622 CB GLN A 81 1.063 91.588 31.763 1.00 0.00 ATOM 623 CG GLN A 81 1.825 92.166 32.926 1.00 0.00 ATOM 624 CD GLN A 81 1.023 92.148 34.184 1.00 0.00 ATOM 625 OE1 GLN A 81 1.078 91.185 34.921 1.00 0.00 ATOM 626 NE2 GLN A 81 0.235 93.197 34.423 1.00 0.00 ATOM 627 O GLN A 81 -1.469 89.623 31.257 1.00 0.00 ATOM 628 C GLN A 81 -0.300 89.662 30.901 1.00 0.00 ATOM 629 N PHE A 82 0.086 89.400 29.672 1.00 0.00 ATOM 630 CA PHE A 82 -0.851 88.952 28.641 1.00 0.00 ATOM 631 CB PHE A 82 -0.109 88.884 27.306 1.00 0.00 ATOM 632 CG PHE A 82 -0.900 88.272 26.187 1.00 0.00 ATOM 633 CD1 PHE A 82 -2.271 88.460 26.089 1.00 0.00 ATOM 634 CD2 PHE A 82 -0.250 87.541 25.204 1.00 0.00 ATOM 635 CE1 PHE A 82 -2.999 87.894 25.045 1.00 0.00 ATOM 636 CE2 PHE A 82 -0.978 86.970 24.137 1.00 0.00 ATOM 637 CZ PHE A 82 -2.357 87.148 24.084 1.00 0.00 ATOM 638 O PHE A 82 -2.709 87.427 29.019 1.00 0.00 ATOM 639 C PHE A 82 -1.480 87.600 29.057 1.00 0.00 ATOM 640 N GLY A 83 -0.638 86.681 29.506 1.00 0.00 ATOM 641 CA GLY A 83 -1.095 85.392 30.070 1.00 0.00 ATOM 642 O GLY A 83 -3.146 84.942 31.249 1.00 0.00 ATOM 643 C GLY A 83 -2.070 85.575 31.225 1.00 0.00 ATOM 644 N PHE A 84 -1.714 86.444 32.181 1.00 0.00 ATOM 645 CA PHE A 84 -2.619 86.759 33.274 1.00 0.00 ATOM 646 CB PHE A 84 -2.030 87.759 34.284 1.00 0.00 ATOM 647 CG PHE A 84 -3.053 88.257 35.259 1.00 0.00 ATOM 648 CD1 PHE A 84 -3.561 87.406 36.220 1.00 0.00 ATOM 649 CD2 PHE A 84 -3.559 89.543 35.174 1.00 0.00 ATOM 650 CE1 PHE A 84 -4.520 87.814 37.076 1.00 0.00 ATOM 651 CE2 PHE A 84 -4.529 89.955 36.035 1.00 0.00 ATOM 652 CZ PHE A 84 -5.003 89.095 36.994 1.00 0.00 ATOM 653 O PHE A 84 -5.031 86.753 33.235 1.00 0.00 ATOM 654 C PHE A 84 -3.992 87.283 32.813 1.00 0.00 ATOM 655 N TYR A 85 -4.003 88.322 31.982 1.00 0.00 ATOM 656 CA TYR A 85 -5.258 88.963 31.601 1.00 0.00 ATOM 657 CB TYR A 85 -5.039 90.177 30.674 1.00 0.00 ATOM 658 CG TYR A 85 -4.385 91.356 31.369 1.00 0.00 ATOM 659 CD1 TYR A 85 -4.930 91.884 32.523 1.00 0.00 ATOM 660 CD2 TYR A 85 -3.227 91.924 30.875 1.00 0.00 ATOM 661 CE1 TYR A 85 -4.351 92.957 33.168 1.00 0.00 ATOM 662 CE2 TYR A 85 -2.643 93.021 31.513 1.00 0.00 ATOM 663 CZ TYR A 85 -3.215 93.524 32.651 1.00 0.00 ATOM 664 OH TYR A 85 -2.655 94.583 33.339 1.00 0.00 ATOM 665 O TYR A 85 -7.379 87.918 31.104 1.00 0.00 ATOM 666 C TYR A 85 -6.145 87.958 30.887 1.00 0.00 ATOM 667 N TYR A 86 -5.526 87.175 30.019 1.00 0.00 ATOM 668 CA TYR A 86 -6.311 86.237 29.180 1.00 0.00 ATOM 669 CB TYR A 86 -5.500 85.634 28.041 1.00 0.00 ATOM 670 CG TYR A 86 -6.437 84.803 27.157 1.00 0.00 ATOM 671 CD1 TYR A 86 -7.582 85.396 26.585 1.00 0.00 ATOM 672 CD2 TYR A 86 -6.229 83.438 26.968 1.00 0.00 ATOM 673 CE1 TYR A 86 -8.500 84.641 25.843 1.00 0.00 ATOM 674 CE2 TYR A 86 -7.128 82.675 26.189 1.00 0.00 ATOM 675 CZ TYR A 86 -8.269 83.301 25.649 1.00 0.00 ATOM 676 OH TYR A 86 -9.175 82.596 24.887 1.00 0.00 ATOM 677 O TYR A 86 -8.206 84.931 29.976 1.00 0.00 ATOM 678 C TYR A 86 -6.959 85.152 30.033 1.00 0.00 ATOM 679 N GLY A 87 -6.133 84.520 30.870 1.00 0.00 ATOM 680 CA GLY A 87 -6.626 83.637 31.927 1.00 0.00 ATOM 681 O GLY A 87 -8.726 83.495 33.035 1.00 0.00 ATOM 682 C GLY A 87 -7.811 84.216 32.687 1.00 0.00 ATOM 683 N GLU A 88 -7.811 85.512 32.941 1.00 0.00 ATOM 684 CA GLU A 88 -8.942 86.153 33.592 1.00 0.00 ATOM 685 CB GLU A 88 -8.528 87.531 34.115 1.00 0.00 ATOM 686 CG GLU A 88 -7.539 87.464 35.231 1.00 0.00 ATOM 687 CD GLU A 88 -8.173 86.979 36.507 1.00 0.00 ATOM 688 OE1 GLU A 88 -8.827 87.807 37.194 1.00 0.00 ATOM 689 OE2 GLU A 88 -8.015 85.775 36.800 1.00 0.00 ATOM 690 O GLU A 88 -11.283 86.381 33.134 1.00 0.00 ATOM 691 C GLU A 88 -10.156 86.346 32.675 1.00 0.00 ATOM 692 N ASN A 89 -9.903 86.520 31.395 1.00 0.00 ATOM 693 CA ASN A 89 -10.927 86.877 30.430 1.00 0.00 ATOM 694 CB ASN A 89 -10.417 88.022 29.525 1.00 0.00 ATOM 695 CG ASN A 89 -10.386 89.361 30.198 1.00 0.00 ATOM 696 ND2 ASN A 89 -9.474 90.228 29.735 1.00 0.00 ATOM 697 OD1 ASN A 89 -11.185 89.644 31.088 1.00 0.00 ATOM 698 O ASN A 89 -11.860 85.973 28.455 1.00 0.00 ATOM 699 C ASN A 89 -11.298 85.715 29.501 1.00 0.00 ATOM 700 N LEU A 90 -10.990 84.466 29.855 1.00 0.00 ATOM 701 CA LEU A 90 -11.271 83.299 28.988 1.00 0.00 ATOM 702 CB LEU A 90 -11.041 81.960 29.727 1.00 0.00 ATOM 703 CG LEU A 90 -9.670 81.304 29.788 1.00 0.00 ATOM 704 CD1 LEU A 90 -9.816 79.881 30.306 1.00 0.00 ATOM 705 CD2 LEU A 90 -8.991 81.275 28.493 1.00 0.00 ATOM 706 O LEU A 90 -12.963 82.743 27.368 1.00 0.00 ATOM 707 C LEU A 90 -12.704 83.233 28.471 1.00 0.00 ATOM 708 N CYS A 91 -13.646 83.656 29.299 1.00 0.00 ATOM 709 CA CYS A 91 -15.047 83.565 28.947 1.00 0.00 ATOM 710 CB CYS A 91 -15.663 82.326 29.599 1.00 0.00 ATOM 711 SG CYS A 91 -17.461 82.164 29.412 1.00 0.00 ATOM 712 O CYS A 91 -16.725 84.753 30.121 1.00 0.00 ATOM 713 C CYS A 91 -15.747 84.818 29.396 1.00 0.00 ATOM 714 N ASN A 92 -15.224 85.953 28.978 1.00 0.00 ATOM 715 CA ASN A 92 -15.777 87.232 29.343 1.00 0.00 ATOM 716 CB ASN A 92 -14.646 88.213 29.680 1.00 0.00 ATOM 717 CG ASN A 92 -15.142 89.602 29.917 1.00 0.00 ATOM 718 ND2 ASN A 92 -14.320 90.591 29.621 1.00 0.00 ATOM 719 OD1 ASN A 92 -16.257 89.785 30.356 1.00 0.00 ATOM 720 O ASN A 92 -17.853 87.634 28.252 1.00 0.00 ATOM 721 C ASN A 92 -16.634 87.717 28.190 1.00 0.00 ATOM 722 N ILE A 93 -15.994 88.197 27.127 1.00 0.00 ATOM 723 CA ILE A 93 -16.696 88.636 25.919 1.00 0.00 ATOM 724 CB ILE A 93 -15.948 89.793 25.212 1.00 0.00 ATOM 725 CG1 ILE A 93 -15.757 90.964 26.161 1.00 0.00 ATOM 726 CG2 ILE A 93 -16.759 90.314 24.028 1.00 0.00 ATOM 727 CD1 ILE A 93 -17.037 91.434 26.729 1.00 0.00 ATOM 728 O ILE A 93 -17.646 87.561 24.005 1.00 0.00 ATOM 729 C ILE A 93 -16.832 87.495 24.910 1.00 0.00 ATOM 730 N SER A 94 -16.001 86.475 25.069 1.00 0.00 ATOM 731 CA SER A 94 -16.020 85.304 24.208 1.00 0.00 ATOM 732 CB SER A 94 -14.852 84.385 24.574 1.00 0.00 ATOM 733 OG SER A 94 -13.643 85.082 24.324 1.00 0.00 ATOM 734 O SER A 94 -17.944 84.373 25.318 1.00 0.00 ATOM 735 C SER A 94 -17.343 84.535 24.256 1.00 0.00 ATOM 736 N ARG A 95 -17.780 84.054 23.087 1.00 0.00 ATOM 737 CA ARG A 95 -18.967 83.236 22.979 1.00 0.00 ATOM 738 CB ARG A 95 -20.119 84.101 22.477 1.00 0.00 ATOM 739 CG ARG A 95 -20.495 85.223 23.438 1.00 0.00 ATOM 740 CD ARG A 95 -21.299 84.750 24.640 1.00 0.00 ATOM 741 NE ARG A 95 -21.661 85.948 25.399 1.00 0.00 ATOM 742 CZ ARG A 95 -20.874 86.541 26.290 1.00 0.00 ATOM 743 NH1 ARG A 95 -19.692 86.011 26.605 1.00 0.00 ATOM 744 NH2 ARG A 95 -21.286 87.647 26.903 1.00 0.00 ATOM 745 O ARG A 95 -17.953 82.250 21.084 1.00 0.00 ATOM 746 C ARG A 95 -18.778 82.130 21.967 1.00 0.00 ATOM 747 N LEU A 96 -19.558 81.069 22.093 1.00 0.00 ATOM 748 CA LEU A 96 -19.569 79.992 21.087 1.00 0.00 ATOM 749 CB LEU A 96 -20.467 78.853 21.573 1.00 0.00 ATOM 750 CG LEU A 96 -19.997 78.013 22.760 1.00 0.00 ATOM 751 CD1 LEU A 96 -20.993 76.917 23.004 1.00 0.00 ATOM 752 CD2 LEU A 96 -18.616 77.480 22.539 1.00 0.00 ATOM 753 O LEU A 96 -20.992 81.424 19.823 1.00 0.00 ATOM 754 C LEU A 96 -20.118 80.524 19.796 1.00 0.00 ATOM 755 N TYR A 97 -19.682 79.970 18.661 1.00 0.00 ATOM 756 CA TYR A 97 -20.269 80.366 17.384 1.00 0.00 ATOM 757 CB TYR A 97 -19.419 79.958 16.202 1.00 0.00 ATOM 758 CG TYR A 97 -18.210 80.838 16.008 1.00 0.00 ATOM 759 CD1 TYR A 97 -18.306 82.050 15.339 1.00 0.00 ATOM 760 CD2 TYR A 97 -16.976 80.457 16.480 1.00 0.00 ATOM 761 CE1 TYR A 97 -17.184 82.859 15.152 1.00 0.00 ATOM 762 CE2 TYR A 97 -15.835 81.282 16.290 1.00 0.00 ATOM 763 CZ TYR A 97 -15.956 82.459 15.610 1.00 0.00 ATOM 764 OH TYR A 97 -14.849 83.274 15.422 1.00 0.00 ATOM 765 O TYR A 97 -22.012 78.858 18.079 1.00 0.00 ATOM 766 C TYR A 97 -21.679 79.745 17.294 1.00 0.00 ATOM 767 N PRO A 98 -22.519 80.242 16.401 1.00 0.00 ATOM 768 CA PRO A 98 -23.915 79.762 16.320 1.00 0.00 ATOM 769 CB PRO A 98 -24.469 80.497 15.077 1.00 0.00 ATOM 770 CG PRO A 98 -23.695 81.794 15.078 1.00 0.00 ATOM 771 CD PRO A 98 -22.266 81.335 15.438 1.00 0.00 ATOM 772 O PRO A 98 -23.309 77.619 15.360 1.00 0.00 ATOM 773 C PRO A 98 -24.043 78.241 16.155 1.00 0.00 ATOM 774 N ASN A 99 -24.916 77.653 16.963 1.00 0.00 ATOM 775 CA ASN A 99 -25.252 76.221 16.916 1.00 0.00 ATOM 776 CB ASN A 99 -25.805 75.862 15.536 1.00 0.00 ATOM 777 CG ASN A 99 -26.920 76.754 15.105 1.00 0.00 ATOM 778 ND2 ASN A 99 -27.922 76.854 15.915 1.00 0.00 ATOM 779 OD1 ASN A 99 -26.885 77.343 14.006 1.00 0.00 ATOM 780 O ASN A 99 -24.257 74.071 17.068 1.00 0.00 ATOM 781 C ASN A 99 -24.128 75.259 17.277 1.00 0.00 ATOM 782 N VAL A 100 -23.040 75.740 17.880 1.00 0.00 ATOM 783 CA VAL A 100 -21.905 74.869 18.146 1.00 0.00 ATOM 784 CB VAL A 100 -20.671 75.638 18.658 1.00 0.00 ATOM 785 CG1 VAL A 100 -19.654 74.677 19.304 1.00 0.00 ATOM 786 CG2 VAL A 100 -19.999 76.401 17.520 1.00 0.00 ATOM 787 O VAL A 100 -22.002 72.596 18.891 1.00 0.00 ATOM 788 C VAL A 100 -22.278 73.765 19.140 1.00 0.00 ATOM 789 N LYS A 101 -22.941 74.101 20.239 1.00 0.00 ATOM 790 CA LYS A 101 -23.205 73.067 21.239 1.00 0.00 ATOM 791 CB LYS A 101 -23.700 73.684 22.547 1.00 0.00 ATOM 792 CG LYS A 101 -23.913 72.704 23.682 1.00 0.00 ATOM 793 CD LYS A 101 -23.900 73.497 24.996 1.00 0.00 ATOM 794 CE LYS A 101 -23.702 72.593 26.189 1.00 0.00 ATOM 795 NZ LYS A 101 -24.952 71.876 26.450 1.00 0.00 ATOM 796 O LYS A 101 -24.010 70.842 20.906 1.00 0.00 ATOM 797 C LYS A 101 -24.216 72.038 20.746 1.00 0.00 ATOM 798 N GLU A 102 -25.323 72.506 20.180 1.00 0.00 ATOM 799 CA GLU A 102 -26.320 71.632 19.622 1.00 0.00 ATOM 800 CB GLU A 102 -27.449 72.468 18.992 1.00 0.00 ATOM 801 CG GLU A 102 -28.471 71.577 18.326 1.00 0.00 ATOM 802 CD GLU A 102 -29.803 72.259 17.864 1.00 0.00 ATOM 803 OE1 GLU A 102 -29.865 73.515 17.615 1.00 0.00 ATOM 804 OE2 GLU A 102 -30.784 71.465 17.724 1.00 0.00 ATOM 805 O GLU A 102 -26.198 69.473 18.481 1.00 0.00 ATOM 806 C GLU A 102 -25.757 70.649 18.583 1.00 0.00 ATOM 807 N THR A 103 -24.841 71.145 17.756 1.00 0.00 ATOM 808 CA THR A 103 -24.227 70.339 16.678 1.00 0.00 ATOM 809 CB THR A 103 -23.511 71.230 15.644 1.00 0.00 ATOM 810 CG2 THR A 103 -22.864 70.409 14.469 1.00 0.00 ATOM 811 OG1 THR A 103 -24.472 72.168 15.119 1.00 0.00 ATOM 812 O THR A 103 -23.363 68.155 16.890 1.00 0.00 ATOM 813 C THR A 103 -23.283 69.298 17.269 1.00 0.00 ATOM 814 N LEU A 104 -22.424 69.684 18.213 1.00 0.00 ATOM 815 CA LEU A 104 -21.521 68.740 18.858 1.00 0.00 ATOM 816 CB LEU A 104 -20.568 69.471 19.807 1.00 0.00 ATOM 817 CG LEU A 104 -19.542 70.486 19.298 1.00 0.00 ATOM 818 CD1 LEU A 104 -18.971 71.269 20.524 1.00 0.00 ATOM 819 CD2 LEU A 104 -18.430 69.796 18.563 1.00 0.00 ATOM 820 O LEU A 104 -21.909 66.461 19.586 1.00 0.00 ATOM 821 C LEU A 104 -22.301 67.646 19.588 1.00 0.00 ATOM 822 N GLU A 105 -23.419 68.018 20.203 1.00 0.00 ATOM 823 CA GLU A 105 -24.261 67.026 20.900 1.00 0.00 ATOM 824 CB GLU A 105 -25.342 67.742 21.740 1.00 0.00 ATOM 825 CG GLU A 105 -24.756 68.327 23.033 1.00 0.00 ATOM 826 CD GLU A 105 -25.630 69.351 23.733 1.00 0.00 ATOM 827 OE1 GLU A 105 -26.719 69.689 23.191 1.00 0.00 ATOM 828 OE2 GLU A 105 -25.202 69.817 24.830 1.00 0.00 ATOM 829 O GLU A 105 -24.899 64.839 20.188 1.00 0.00 ATOM 830 C GLU A 105 -24.858 66.032 19.921 1.00 0.00 ATOM 831 N ALA A 106 -25.302 66.526 18.766 1.00 0.00 ATOM 832 CA ALA A 106 -25.857 65.691 17.706 1.00 0.00 ATOM 833 CB ALA A 106 -26.378 66.555 16.560 1.00 0.00 ATOM 834 O ALA A 106 -25.134 63.507 16.953 1.00 0.00 ATOM 835 C ALA A 106 -24.824 64.688 17.178 1.00 0.00 ATOM 836 N LEU A 107 -23.617 65.173 16.945 1.00 0.00 ATOM 837 CA LEU A 107 -22.543 64.330 16.419 1.00 0.00 ATOM 838 CB LEU A 107 -21.324 65.175 16.081 1.00 0.00 ATOM 839 CG LEU A 107 -21.479 66.155 14.909 1.00 0.00 ATOM 840 CD1 LEU A 107 -20.273 67.066 14.818 1.00 0.00 ATOM 841 CD2 LEU A 107 -21.749 65.439 13.536 1.00 0.00 ATOM 842 O LEU A 107 -21.887 62.125 17.075 1.00 0.00 ATOM 843 C LEU A 107 -22.161 63.249 17.447 1.00 0.00 ATOM 844 N LYS A 108 -22.118 63.618 18.722 1.00 0.00 ATOM 845 CA LYS A 108 -21.811 62.672 19.809 1.00 0.00 ATOM 846 CB LYS A 108 -21.683 63.406 21.140 1.00 0.00 ATOM 847 CG LYS A 108 -21.315 62.549 22.342 1.00 0.00 ATOM 848 CD LYS A 108 -19.838 62.675 22.686 1.00 0.00 ATOM 849 CE LYS A 108 -19.312 61.453 23.426 1.00 0.00 ATOM 850 NZ LYS A 108 -18.726 60.491 22.422 1.00 0.00 ATOM 851 O LYS A 108 -22.625 60.416 19.942 1.00 0.00 ATOM 852 C LYS A 108 -22.910 61.609 19.863 1.00 0.00 ATOM 853 N ALA A 109 -24.160 62.043 19.766 1.00 0.00 ATOM 854 CA ALA A 109 -25.305 61.122 19.737 1.00 0.00 ATOM 855 CB ALA A 109 -26.644 61.896 19.678 1.00 0.00 ATOM 856 O ALA A 109 -25.735 59.028 18.709 1.00 0.00 ATOM 857 C ALA A 109 -25.237 60.122 18.587 1.00 0.00 ATOM 858 N GLN A 110 -24.646 60.506 17.466 1.00 0.00 ATOM 859 CA GLN A 110 -24.492 59.619 16.321 1.00 0.00 ATOM 860 CB GLN A 110 -24.195 60.416 15.055 1.00 0.00 ATOM 861 CG GLN A 110 -25.292 61.317 14.538 1.00 0.00 ATOM 862 CD GLN A 110 -24.918 61.914 13.186 1.00 0.00 ATOM 863 OE1 GLN A 110 -25.144 61.294 12.148 1.00 0.00 ATOM 864 NE2 GLN A 110 -24.333 63.102 13.193 1.00 0.00 ATOM 865 O GLN A 110 -23.222 57.732 15.658 1.00 0.00 ATOM 866 C GLN A 110 -23.348 58.609 16.488 1.00 0.00 ATOM 867 N GLY A 111 -22.507 58.753 17.514 1.00 0.00 ATOM 868 CA GLY A 111 -21.389 57.830 17.758 1.00 0.00 ATOM 869 O GLY A 111 -19.061 57.520 17.412 1.00 0.00 ATOM 870 C GLY A 111 -20.021 58.276 17.305 1.00 0.00 ATOM 871 N TYR A 112 -19.880 59.517 16.852 1.00 0.00 ATOM 872 CA TYR A 112 -18.557 60.009 16.478 1.00 0.00 ATOM 873 CB TYR A 112 -18.676 61.288 15.647 1.00 0.00 ATOM 874 CG TYR A 112 -19.278 61.069 14.283 1.00 0.00 ATOM 875 CD1 TYR A 112 -18.526 60.490 13.271 1.00 0.00 ATOM 876 CD2 TYR A 112 -20.572 61.423 14.006 1.00 0.00 ATOM 877 CE1 TYR A 112 -19.067 60.289 12.033 1.00 0.00 ATOM 878 CE2 TYR A 112 -21.131 61.193 12.772 1.00 0.00 ATOM 879 CZ TYR A 112 -20.373 60.655 11.787 1.00 0.00 ATOM 880 OH TYR A 112 -20.910 60.454 10.553 1.00 0.00 ATOM 881 O TYR A 112 -18.215 60.804 18.683 1.00 0.00 ATOM 882 C TYR A 112 -17.727 60.282 17.702 1.00 0.00 ATOM 883 N ILE A 113 -16.457 59.926 17.628 1.00 0.00 ATOM 884 CA ILE A 113 -15.474 60.355 18.589 1.00 0.00 ATOM 885 CB ILE A 113 -14.167 59.562 18.447 1.00 0.00 ATOM 886 CG1 ILE A 113 -14.365 58.050 18.656 1.00 0.00 ATOM 887 CG2 ILE A 113 -13.095 60.192 19.397 1.00 0.00 ATOM 888 CD1 ILE A 113 -13.253 57.145 18.037 1.00 0.00 ATOM 889 O ILE A 113 -14.972 62.145 17.062 1.00 0.00 ATOM 890 C ILE A 113 -15.177 61.826 18.243 1.00 0.00 ATOM 891 N LEU A 114 -15.116 62.715 19.240 1.00 0.00 ATOM 892 CA LEU A 114 -14.872 64.142 18.975 1.00 0.00 ATOM 893 CB LEU A 114 -16.022 65.006 19.486 1.00 0.00 ATOM 894 CG LEU A 114 -17.429 64.635 18.994 1.00 0.00 ATOM 895 CD1 LEU A 114 -18.500 65.531 19.632 1.00 0.00 ATOM 896 CD2 LEU A 114 -17.462 64.680 17.481 1.00 0.00 ATOM 897 O LEU A 114 -13.294 64.093 20.783 1.00 0.00 ATOM 898 C LEU A 114 -13.582 64.554 19.667 1.00 0.00 ATOM 899 N ALA A 115 -12.798 65.373 18.988 1.00 0.00 ATOM 900 CA ALA A 115 -11.492 65.832 19.447 1.00 0.00 ATOM 901 CB ALA A 115 -10.381 64.959 18.829 1.00 0.00 ATOM 902 O ALA A 115 -11.718 67.821 18.102 1.00 0.00 ATOM 903 C ALA A 115 -11.257 67.294 19.131 1.00 0.00 ATOM 904 N VAL A 116 -10.533 67.988 20.017 1.00 0.00 ATOM 905 CA VAL A 116 -10.052 69.321 19.726 1.00 0.00 ATOM 906 CB VAL A 116 -10.372 70.293 20.878 1.00 0.00 ATOM 907 CG1 VAL A 116 -9.570 71.619 20.702 1.00 0.00 ATOM 908 CG2 VAL A 116 -11.871 70.546 20.975 1.00 0.00 ATOM 909 O VAL A 116 -7.804 68.618 20.183 1.00 0.00 ATOM 910 C VAL A 116 -8.536 69.276 19.460 1.00 0.00 ATOM 911 N VAL A 117 -8.105 69.962 18.392 1.00 0.00 ATOM 912 CA VAL A 117 -6.707 70.085 18.053 1.00 0.00 ATOM 913 CB VAL A 117 -6.307 69.248 16.829 1.00 0.00 ATOM 914 CG1 VAL A 117 -4.794 69.407 16.570 1.00 0.00 ATOM 915 CG2 VAL A 117 -6.723 67.792 17.006 1.00 0.00 ATOM 916 O VAL A 117 -6.995 72.077 16.732 1.00 0.00 ATOM 917 C VAL A 117 -6.497 71.555 17.741 1.00 0.00 ATOM 918 N THR A 118 -5.824 72.238 18.654 1.00 0.00 ATOM 919 CA THR A 118 -5.615 73.675 18.534 1.00 0.00 ATOM 920 CB THR A 118 -6.599 74.446 19.450 1.00 0.00 ATOM 921 CG2 THR A 118 -6.520 73.997 20.910 1.00 0.00 ATOM 922 OG1 THR A 118 -6.335 75.839 19.366 1.00 0.00 ATOM 923 O THR A 118 -3.436 73.307 19.523 1.00 0.00 ATOM 924 C THR A 118 -4.159 74.046 18.861 1.00 0.00 ATOM 925 N ASN A 119 -3.753 75.210 18.373 1.00 0.00 ATOM 926 CA ASN A 119 -2.466 75.784 18.699 1.00 0.00 ATOM 927 CB ASN A 119 -1.913 76.532 17.479 1.00 0.00 ATOM 928 CG ASN A 119 -1.413 75.585 16.394 1.00 0.00 ATOM 929 ND2 ASN A 119 -1.062 76.139 15.237 1.00 0.00 ATOM 930 OD1 ASN A 119 -1.356 74.384 16.599 1.00 0.00 ATOM 931 O ASN A 119 -1.543 77.140 20.448 1.00 0.00 ATOM 932 C ASN A 119 -2.550 76.698 19.930 1.00 0.00 ATOM 933 N LYS A 120 -3.774 76.935 20.400 1.00 0.00 ATOM 934 CA LYS A 120 -4.003 77.627 21.647 1.00 0.00 ATOM 935 CB LYS A 120 -5.530 77.607 21.974 1.00 0.00 ATOM 936 CG LYS A 120 -5.932 78.433 23.212 1.00 0.00 ATOM 937 CD LYS A 120 -7.443 78.363 23.457 1.00 0.00 ATOM 938 CE LYS A 120 -7.970 79.635 24.120 1.00 0.00 ATOM 939 NZ LYS A 120 -7.788 80.842 23.281 1.00 0.00 ATOM 940 O LYS A 120 -3.162 75.672 22.778 1.00 0.00 ATOM 941 C LYS A 120 -3.239 76.914 22.776 1.00 0.00 ATOM 942 N PRO A 121 -2.647 77.663 23.737 1.00 0.00 ATOM 943 CA PRO A 121 -1.960 76.924 24.821 1.00 0.00 ATOM 944 CB PRO A 121 -1.575 78.034 25.817 1.00 0.00 ATOM 945 CG PRO A 121 -1.414 79.240 24.969 1.00 0.00 ATOM 946 CD PRO A 121 -2.461 79.121 23.873 1.00 0.00 ATOM 947 O PRO A 121 -3.978 76.059 25.816 1.00 0.00 ATOM 948 C PRO A 121 -2.778 75.846 25.486 1.00 0.00 ATOM 949 N THR A 122 -2.129 74.696 25.712 1.00 0.00 ATOM 950 CA THR A 122 -2.800 73.522 26.251 1.00 0.00 ATOM 951 CB THR A 122 -1.806 72.353 26.466 1.00 0.00 ATOM 952 CG2 THR A 122 -2.531 71.145 26.992 1.00 0.00 ATOM 953 OG1 THR A 122 -1.141 72.054 25.234 1.00 0.00 ATOM 954 O THR A 122 -4.625 73.438 27.796 1.00 0.00 ATOM 955 C THR A 122 -3.486 73.858 27.561 1.00 0.00 ATOM 956 N LYS A 123 -2.841 74.674 28.380 1.00 0.00 ATOM 957 CA LYS A 123 -3.429 75.023 29.674 1.00 0.00 ATOM 958 CB LYS A 123 -2.521 75.961 30.458 1.00 0.00 ATOM 959 CG LYS A 123 -2.281 77.304 29.849 1.00 0.00 ATOM 960 CD LYS A 123 -1.364 78.102 30.754 1.00 0.00 ATOM 961 CE LYS A 123 -0.811 79.312 30.042 1.00 0.00 ATOM 962 NZ LYS A 123 0.200 80.025 30.881 1.00 0.00 ATOM 963 O LYS A 123 -5.547 75.540 30.552 1.00 0.00 ATOM 964 C LYS A 123 -4.796 75.666 29.605 1.00 0.00 ATOM 965 N HIS A 124 -5.086 76.395 28.518 1.00 0.00 ATOM 966 CA HIS A 124 -6.389 77.053 28.346 1.00 0.00 ATOM 967 CB HIS A 124 -6.256 78.299 27.455 1.00 0.00 ATOM 968 CG HIS A 124 -5.307 79.338 27.988 1.00 0.00 ATOM 969 CD2 HIS A 124 -4.364 80.089 27.366 1.00 0.00 ATOM 970 ND1 HIS A 124 -5.289 79.726 29.307 1.00 0.00 ATOM 971 CE1 HIS A 124 -4.367 80.657 29.485 1.00 0.00 ATOM 972 NE2 HIS A 124 -3.785 80.890 28.324 1.00 0.00 ATOM 973 O HIS A 124 -8.634 76.526 27.767 1.00 0.00 ATOM 974 C HIS A 124 -7.475 76.159 27.730 1.00 0.00 ATOM 975 N VAL A 125 -7.120 74.996 27.172 1.00 0.00 ATOM 976 CA VAL A 125 -8.090 74.226 26.422 1.00 0.00 ATOM 977 CB VAL A 125 -7.402 73.195 25.469 1.00 0.00 ATOM 978 CG1 VAL A 125 -8.459 72.424 24.709 1.00 0.00 ATOM 979 CG2 VAL A 125 -6.402 73.909 24.523 1.00 0.00 ATOM 980 O VAL A 125 -10.423 73.920 27.069 1.00 0.00 ATOM 981 C VAL A 125 -9.217 73.627 27.281 1.00 0.00 ATOM 982 N GLN A 126 -8.891 72.815 28.276 1.00 0.00 ATOM 983 CA GLN A 126 -9.972 72.251 29.055 1.00 0.00 ATOM 984 CB GLN A 126 -9.504 71.101 29.934 1.00 0.00 ATOM 985 CG GLN A 126 -10.661 70.251 30.464 1.00 0.00 ATOM 986 CD GLN A 126 -10.193 68.990 31.145 1.00 0.00 ATOM 987 OE1 GLN A 126 -9.354 68.252 30.613 1.00 0.00 ATOM 988 NE2 GLN A 126 -10.737 68.722 32.327 1.00 0.00 ATOM 989 O GLN A 126 -12.002 73.178 29.933 1.00 0.00 ATOM 990 C GLN A 126 -10.781 73.307 29.836 1.00 0.00 ATOM 991 N PRO A 127 -10.117 74.322 30.424 1.00 0.00 ATOM 992 CA PRO A 127 -10.860 75.439 31.043 1.00 0.00 ATOM 993 CB PRO A 127 -9.744 76.396 31.507 1.00 0.00 ATOM 994 CG PRO A 127 -8.616 75.490 31.789 1.00 0.00 ATOM 995 CD PRO A 127 -8.668 74.450 30.703 1.00 0.00 ATOM 996 O PRO A 127 -12.991 76.327 30.539 1.00 0.00 ATOM 997 C PRO A 127 -11.856 76.167 30.131 1.00 0.00 ATOM 998 N ILE A 128 -11.456 76.549 28.915 1.00 0.00 ATOM 999 CA ILE A 128 -12.380 77.291 28.032 1.00 0.00 ATOM 1000 CB ILE A 128 -11.681 77.993 26.824 1.00 0.00 ATOM 1001 CG1 ILE A 128 -12.550 79.141 26.291 1.00 0.00 ATOM 1002 CG2 ILE A 128 -11.407 76.998 25.672 1.00 0.00 ATOM 1003 CD1 ILE A 128 -11.877 80.147 25.328 1.00 0.00 ATOM 1004 O ILE A 128 -14.677 76.826 27.637 1.00 0.00 ATOM 1005 C ILE A 128 -13.550 76.391 27.616 1.00 0.00 ATOM 1006 N LEU A 129 -13.290 75.115 27.308 1.00 0.00 ATOM 1007 CA LEU A 129 -14.353 74.151 26.971 1.00 0.00 ATOM 1008 CB LEU A 129 -13.702 72.836 26.475 1.00 0.00 ATOM 1009 CG LEU A 129 -12.898 72.864 25.140 1.00 0.00 ATOM 1010 CD1 LEU A 129 -12.222 71.508 24.831 1.00 0.00 ATOM 1011 CD2 LEU A 129 -13.786 73.302 23.923 1.00 0.00 ATOM 1012 O LEU A 129 -16.580 73.737 27.980 1.00 0.00 ATOM 1013 C LEU A 129 -15.330 73.883 28.146 1.00 0.00 ATOM 1014 N THR A 130 -14.753 73.817 29.346 1.00 0.00 ATOM 1015 CA THR A 130 -15.522 73.667 30.569 1.00 0.00 ATOM 1016 CB THR A 130 -14.638 73.365 31.778 1.00 0.00 ATOM 1017 CG2 THR A 130 -15.522 73.145 33.054 1.00 0.00 ATOM 1018 OG1 THR A 130 -13.852 72.189 31.491 1.00 0.00 ATOM 1019 O THR A 130 -17.574 74.763 30.993 1.00 0.00 ATOM 1020 C THR A 130 -16.376 74.904 30.787 1.00 0.00 ATOM 1021 N ALA A 131 -15.798 76.099 30.645 1.00 0.00 ATOM 1022 CA ALA A 131 -16.563 77.353 30.779 1.00 0.00 ATOM 1023 CB ALA A 131 -15.659 78.574 30.576 1.00 0.00 ATOM 1024 O ALA A 131 -18.798 78.040 30.174 1.00 0.00 ATOM 1025 C ALA A 131 -17.776 77.449 29.827 1.00 0.00 ATOM 1026 N PHE A 132 -17.663 76.871 28.632 1.00 0.00 ATOM 1027 CA PHE A 132 -18.757 76.876 27.674 1.00 0.00 ATOM 1028 CB PHE A 132 -18.222 77.223 26.268 1.00 0.00 ATOM 1029 CG PHE A 132 -17.805 78.657 26.138 1.00 0.00 ATOM 1030 CD1 PHE A 132 -18.743 79.656 26.010 1.00 0.00 ATOM 1031 CD2 PHE A 132 -16.472 79.021 26.173 1.00 0.00 ATOM 1032 CE1 PHE A 132 -18.365 80.967 25.940 1.00 0.00 ATOM 1033 CE2 PHE A 132 -16.085 80.352 26.085 1.00 0.00 ATOM 1034 CZ PHE A 132 -17.034 81.328 25.985 1.00 0.00 ATOM 1035 O PHE A 132 -20.502 75.429 26.853 1.00 0.00 ATOM 1036 C PHE A 132 -19.621 75.590 27.685 1.00 0.00 ATOM 1037 N GLY A 133 -19.386 74.698 28.642 1.00 0.00 ATOM 1038 CA GLY A 133 -20.237 73.543 28.837 1.00 0.00 ATOM 1039 O GLY A 133 -21.099 71.717 27.576 1.00 0.00 ATOM 1040 C GLY A 133 -20.133 72.446 27.793 1.00 0.00 ATOM 1041 N ILE A 134 -18.985 72.328 27.137 1.00 0.00 ATOM 1042 CA ILE A 134 -18.805 71.313 26.059 1.00 0.00 ATOM 1043 CB ILE A 134 -18.764 72.006 24.647 1.00 0.00 ATOM 1044 CG1 ILE A 134 -17.624 73.030 24.581 1.00 0.00 ATOM 1045 CG2 ILE A 134 -20.131 72.686 24.355 1.00 0.00 ATOM 1046 CD1 ILE A 134 -17.325 73.607 23.160 1.00 0.00 ATOM 1047 O ILE A 134 -17.352 69.483 25.432 1.00 0.00 ATOM 1048 C ILE A 134 -17.605 70.384 26.258 1.00 0.00 ATOM 1049 N ASP A 135 -16.890 70.553 27.375 1.00 0.00 ATOM 1050 CA ASP A 135 -15.719 69.698 27.675 1.00 0.00 ATOM 1051 CB ASP A 135 -15.040 70.096 28.992 1.00 0.00 ATOM 1052 CG ASP A 135 -15.986 70.022 30.182 1.00 0.00 ATOM 1053 OD1 ASP A 135 -17.015 70.733 30.150 1.00 0.00 ATOM 1054 OD2 ASP A 135 -15.719 69.218 31.111 1.00 0.00 ATOM 1055 O ASP A 135 -15.327 67.363 27.298 1.00 0.00 ATOM 1056 C ASP A 135 -16.090 68.215 27.728 1.00 0.00 ATOM 1057 N HIS A 136 -17.275 67.896 28.221 1.00 0.00 ATOM 1058 CA HIS A 136 -17.675 66.497 28.333 1.00 0.00 ATOM 1059 CB HIS A 136 -18.943 66.401 29.146 1.00 0.00 ATOM 1060 CG HIS A 136 -20.135 66.975 28.467 1.00 0.00 ATOM 1061 CD2 HIS A 136 -21.229 66.388 27.939 1.00 0.00 ATOM 1062 ND1 HIS A 136 -20.298 68.325 28.288 1.00 0.00 ATOM 1063 CE1 HIS A 136 -21.441 68.548 27.665 1.00 0.00 ATOM 1064 NE2 HIS A 136 -22.030 67.390 27.454 1.00 0.00 ATOM 1065 O HIS A 136 -17.956 64.527 26.983 1.00 0.00 ATOM 1066 C HIS A 136 -17.858 65.743 27.003 1.00 0.00 ATOM 1067 N LEU A 137 -17.900 66.463 25.897 1.00 0.00 ATOM 1068 CA LEU A 137 -18.146 65.873 24.599 1.00 0.00 ATOM 1069 CB LEU A 137 -18.833 66.908 23.704 1.00 0.00 ATOM 1070 CG LEU A 137 -20.233 67.328 24.153 1.00 0.00 ATOM 1071 CD1 LEU A 137 -20.650 68.593 23.449 1.00 0.00 ATOM 1072 CD2 LEU A 137 -21.236 66.169 23.981 1.00 0.00 ATOM 1073 O LEU A 137 -16.970 64.529 22.997 1.00 0.00 ATOM 1074 C LEU A 137 -16.869 65.334 23.909 1.00 0.00 ATOM 1075 N PHE A 138 -15.697 65.736 24.390 1.00 0.00 ATOM 1076 CA PHE A 138 -14.438 65.476 23.705 1.00 0.00 ATOM 1077 CB PHE A 138 -13.624 66.746 23.621 1.00 0.00 ATOM 1078 CG PHE A 138 -14.289 67.831 22.802 1.00 0.00 ATOM 1079 CD1 PHE A 138 -14.315 67.768 21.415 1.00 0.00 ATOM 1080 CD2 PHE A 138 -14.947 68.876 23.422 1.00 0.00 ATOM 1081 CE1 PHE A 138 -14.913 68.761 20.642 1.00 0.00 ATOM 1082 CE2 PHE A 138 -15.562 69.883 22.661 1.00 0.00 ATOM 1083 CZ PHE A 138 -15.546 69.820 21.276 1.00 0.00 ATOM 1084 O PHE A 138 -13.403 64.336 25.530 1.00 0.00 ATOM 1085 C PHE A 138 -13.604 64.368 24.324 1.00 0.00 ATOM 1086 N SER A 139 -13.104 63.497 23.470 1.00 0.00 ATOM 1087 CA SER A 139 -12.323 62.343 23.887 1.00 0.00 ATOM 1088 CB SER A 139 -12.589 61.175 22.978 1.00 0.00 ATOM 1089 OG SER A 139 -13.946 60.755 23.067 1.00 0.00 ATOM 1090 O SER A 139 -10.072 61.942 24.503 1.00 0.00 ATOM 1091 C SER A 139 -10.842 62.652 23.891 1.00 0.00 ATOM 1092 N GLU A 140 -10.451 63.711 23.207 1.00 0.00 ATOM 1093 CA GLU A 140 -9.081 64.163 23.185 1.00 0.00 ATOM 1094 CB GLU A 140 -8.329 63.460 22.036 1.00 0.00 ATOM 1095 CG GLU A 140 -6.851 63.785 21.997 1.00 0.00 ATOM 1096 CD GLU A 140 -6.161 63.430 23.307 1.00 0.00 ATOM 1097 OE1 GLU A 140 -6.136 64.275 24.241 1.00 0.00 ATOM 1098 OE2 GLU A 140 -5.665 62.314 23.410 1.00 0.00 ATOM 1099 O GLU A 140 -9.945 66.236 22.314 1.00 0.00 ATOM 1100 C GLU A 140 -9.082 65.688 23.004 1.00 0.00 ATOM 1101 N MET A 141 -8.139 66.374 23.649 1.00 0.00 ATOM 1102 CA MET A 141 -8.020 67.849 23.573 1.00 0.00 ATOM 1103 CB MET A 141 -8.632 68.529 24.813 1.00 0.00 ATOM 1104 CG MET A 141 -10.140 68.187 25.030 1.00 0.00 ATOM 1105 SD MET A 141 -10.966 68.852 26.740 1.00 0.00 ATOM 1106 CE MET A 141 -12.091 67.339 27.195 1.00 0.00 ATOM 1107 O MET A 141 -5.800 67.884 24.424 1.00 0.00 ATOM 1108 C MET A 141 -6.533 68.133 23.476 1.00 0.00 ATOM 1109 N LEU A 142 -6.067 68.528 22.304 1.00 0.00 ATOM 1110 CA LEU A 142 -4.650 68.799 22.101 1.00 0.00 ATOM 1111 CB LEU A 142 -4.080 68.033 20.882 1.00 0.00 ATOM 1112 CG LEU A 142 -4.178 66.518 20.931 1.00 0.00 ATOM 1113 CD1 LEU A 142 -3.826 65.891 19.547 1.00 0.00 ATOM 1114 CD2 LEU A 142 -3.304 65.953 22.056 1.00 0.00 ATOM 1115 O LEU A 142 -5.252 70.917 21.198 1.00 0.00 ATOM 1116 C LEU A 142 -4.482 70.292 21.930 1.00 0.00 ATOM 1117 N GLY A 143 -3.489 70.865 22.613 1.00 0.00 ATOM 1118 CA GLY A 143 -3.139 72.270 22.473 1.00 0.00 ATOM 1119 O GLY A 143 -1.015 71.433 21.723 1.00 0.00 ATOM 1120 C GLY A 143 -1.704 72.425 22.038 1.00 0.00 ATOM 1121 N GLY A 144 -1.237 73.669 22.061 1.00 0.00 ATOM 1122 CA GLY A 144 0.004 74.054 21.472 1.00 0.00 ATOM 1123 O GLY A 144 2.317 73.586 21.516 1.00 0.00 ATOM 1124 C GLY A 144 1.250 73.488 22.104 1.00 0.00 ATOM 1125 N GLN A 145 1.136 72.971 23.321 1.00 0.00 ATOM 1126 CA GLN A 145 2.263 72.333 24.006 1.00 0.00 ATOM 1127 CB GLN A 145 2.432 72.938 25.403 1.00 0.00 ATOM 1128 CG GLN A 145 2.906 74.395 25.400 1.00 0.00 ATOM 1129 CD GLN A 145 1.852 75.370 24.894 1.00 0.00 ATOM 1130 OE1 GLN A 145 0.701 75.347 25.357 1.00 0.00 ATOM 1131 NE2 GLN A 145 2.230 76.208 23.914 1.00 0.00 ATOM 1132 O GLN A 145 2.898 70.163 24.763 1.00 0.00 ATOM 1133 C GLN A 145 2.098 70.823 24.117 1.00 0.00 ATOM 1134 N SER A 146 1.068 70.265 23.504 1.00 0.00 ATOM 1135 CA SER A 146 0.699 68.875 23.766 1.00 0.00 ATOM 1136 CB SER A 146 -0.750 68.658 23.366 1.00 0.00 ATOM 1137 OG SER A 146 -1.615 69.377 24.239 1.00 0.00 ATOM 1138 O SER A 146 1.878 66.808 23.490 1.00 0.00 ATOM 1139 C SER A 146 1.626 67.888 23.021 1.00 0.00 ATOM 1140 N LEU A 147 2.134 68.299 21.877 1.00 0.00 ATOM 1141 CA LEU A 147 3.018 67.514 21.030 1.00 0.00 ATOM 1142 CB LEU A 147 2.192 66.984 19.843 1.00 0.00 ATOM 1143 CG LEU A 147 1.002 66.077 20.195 1.00 0.00 ATOM 1144 CD1 LEU A 147 0.195 65.837 18.918 1.00 0.00 ATOM 1145 CD2 LEU A 147 1.450 64.756 20.829 1.00 0.00 ATOM 1146 O LEU A 147 3.929 69.630 20.489 1.00 0.00 ATOM 1147 C LEU A 147 4.132 68.429 20.522 1.00 0.00 ATOM 1148 N PRO A 148 5.283 67.864 20.060 1.00 0.00 ATOM 1149 CA PRO A 148 6.450 68.608 19.532 1.00 0.00 ATOM 1150 CB PRO A 148 7.478 67.511 19.233 1.00 0.00 ATOM 1151 CG PRO A 148 6.993 66.307 19.822 1.00 0.00 ATOM 1152 CD PRO A 148 5.528 66.419 20.038 1.00 0.00 ATOM 1153 O PRO A 148 6.811 70.430 18.039 1.00 0.00 ATOM 1154 C PRO A 148 6.203 69.387 18.244 1.00 0.00 ATOM 1155 N GLU A 149 5.332 68.897 17.373 1.00 0.00 ATOM 1156 CA GLU A 149 4.964 69.632 16.157 1.00 0.00 ATOM 1157 CB GLU A 149 5.364 68.876 14.881 1.00 0.00 ATOM 1158 CG GLU A 149 6.841 68.745 14.670 1.00 0.00 ATOM 1159 CD GLU A 149 7.541 70.011 14.157 1.00 0.00 ATOM 1160 OE1 GLU A 149 6.885 70.996 13.751 1.00 0.00 ATOM 1161 OE2 GLU A 149 8.788 69.987 14.173 1.00 0.00 ATOM 1162 O GLU A 149 2.729 68.922 16.464 1.00 0.00 ATOM 1163 C GLU A 149 3.481 69.851 16.151 1.00 0.00 ATOM 1164 N ILE A 150 3.081 71.068 15.754 1.00 0.00 ATOM 1165 CA ILE A 150 1.680 71.509 15.729 1.00 0.00 ATOM 1166 CB ILE A 150 1.479 72.664 16.780 1.00 0.00 ATOM 1167 CG1 ILE A 150 2.317 73.894 16.435 1.00 0.00 ATOM 1168 CG2 ILE A 150 1.825 72.156 18.201 1.00 0.00 ATOM 1169 CD1 ILE A 150 2.072 75.078 17.484 1.00 0.00 ATOM 1170 O ILE A 150 2.110 72.092 13.424 1.00 0.00 ATOM 1171 C ILE A 150 1.263 71.943 14.316 1.00 0.00 ATOM 1172 N LYS A 151 -0.049 72.174 14.105 1.00 0.00 ATOM 1173 CA LYS A 151 -0.572 72.594 12.812 1.00 0.00 ATOM 1174 CB LYS A 151 -2.049 72.922 12.894 1.00 0.00 ATOM 1175 CG LYS A 151 -2.953 71.761 13.204 1.00 0.00 ATOM 1176 CD LYS A 151 -4.452 72.228 13.456 1.00 0.00 ATOM 1177 CE LYS A 151 -4.598 73.328 14.493 1.00 0.00 ATOM 1178 NZ LYS A 151 -6.060 73.661 14.704 1.00 0.00 ATOM 1179 O LYS A 151 0.512 74.686 13.173 1.00 0.00 ATOM 1180 C LYS A 151 0.234 73.805 12.356 1.00 0.00 ATOM 1181 N PRO A 152 0.563 73.902 11.053 1.00 0.00 ATOM 1182 CA PRO A 152 0.122 73.095 9.922 1.00 0.00 ATOM 1183 CB PRO A 152 0.342 74.021 8.719 1.00 0.00 ATOM 1184 CG PRO A 152 1.472 74.902 9.137 1.00 0.00 ATOM 1185 CD PRO A 152 1.450 75.005 10.634 1.00 0.00 ATOM 1186 O PRO A 152 0.530 71.060 8.740 1.00 0.00 ATOM 1187 C PRO A 152 0.847 71.761 9.705 1.00 0.00 ATOM 1188 N HIS A 153 1.792 71.402 10.565 1.00 0.00 ATOM 1189 CA HIS A 153 2.366 70.038 10.515 1.00 0.00 ATOM 1190 CB HIS A 153 3.524 69.885 11.499 1.00 0.00 ATOM 1191 CG HIS A 153 4.411 68.701 11.239 1.00 0.00 ATOM 1192 CD2 HIS A 153 5.684 68.613 10.809 1.00 0.00 ATOM 1193 ND1 HIS A 153 3.993 67.401 11.462 1.00 0.00 ATOM 1194 CE1 HIS A 153 4.973 66.572 11.166 1.00 0.00 ATOM 1195 NE2 HIS A 153 6.018 67.277 10.783 1.00 0.00 ATOM 1196 O HIS A 153 0.362 69.239 11.633 1.00 0.00 ATOM 1197 C HIS A 153 1.234 69.013 10.785 1.00 0.00 ATOM 1198 N PRO A 154 1.212 67.897 10.010 1.00 0.00 ATOM 1199 CA PRO A 154 0.140 66.921 10.195 1.00 0.00 ATOM 1200 CB PRO A 154 0.227 66.080 8.909 1.00 0.00 ATOM 1201 CG PRO A 154 1.657 66.088 8.594 1.00 0.00 ATOM 1202 CD PRO A 154 2.065 67.534 8.870 1.00 0.00 ATOM 1203 O PRO A 154 -0.645 65.218 11.675 1.00 0.00 ATOM 1204 C PRO A 154 0.266 66.031 11.420 1.00 0.00 ATOM 1205 N ALA A 155 1.364 66.143 12.159 1.00 0.00 ATOM 1206 CA ALA A 155 1.640 65.256 13.330 1.00 0.00 ATOM 1207 CB ALA A 155 2.902 65.707 14.076 1.00 0.00 ATOM 1208 O ALA A 155 0.134 63.977 14.701 1.00 0.00 ATOM 1209 C ALA A 155 0.443 65.086 14.300 1.00 0.00 ATOM 1210 N PRO A 156 -0.226 66.176 14.698 1.00 0.00 ATOM 1211 CA PRO A 156 -1.383 66.026 15.591 1.00 0.00 ATOM 1212 CB PRO A 156 -1.931 67.467 15.680 1.00 0.00 ATOM 1213 CG PRO A 156 -0.753 68.328 15.385 1.00 0.00 ATOM 1214 CD PRO A 156 0.064 67.594 14.417 1.00 0.00 ATOM 1215 O PRO A 156 -3.095 64.372 15.802 1.00 0.00 ATOM 1216 C PRO A 156 -2.439 65.083 15.039 1.00 0.00 ATOM 1217 N PHE A 157 -2.652 65.121 13.722 1.00 0.00 ATOM 1218 CA PHE A 157 -3.598 64.177 13.065 1.00 0.00 ATOM 1219 CB PHE A 157 -3.951 64.674 11.650 1.00 0.00 ATOM 1220 CG PHE A 157 -4.621 66.071 11.669 1.00 0.00 ATOM 1221 CD1 PHE A 157 -5.085 66.614 12.882 1.00 0.00 ATOM 1222 CD2 PHE A 157 -4.812 66.821 10.533 1.00 0.00 ATOM 1223 CE1 PHE A 157 -5.703 67.866 12.926 1.00 0.00 ATOM 1224 CE2 PHE A 157 -5.474 68.076 10.580 1.00 0.00 ATOM 1225 CZ PHE A 157 -5.889 68.588 11.747 1.00 0.00 ATOM 1226 O PHE A 157 -3.836 61.837 13.360 1.00 0.00 ATOM 1227 C PHE A 157 -3.077 62.748 13.124 1.00 0.00 ATOM 1228 N TYR A 158 -1.761 62.547 12.989 1.00 0.00 ATOM 1229 CA TYR A 158 -1.218 61.222 13.076 1.00 0.00 ATOM 1230 CB TYR A 158 0.234 61.214 12.586 1.00 0.00 ATOM 1231 CG TYR A 158 0.421 61.498 11.097 1.00 0.00 ATOM 1232 CD1 TYR A 158 -0.348 60.855 10.164 1.00 0.00 ATOM 1233 CD2 TYR A 158 1.436 62.331 10.635 1.00 0.00 ATOM 1234 CE1 TYR A 158 -0.165 61.051 8.814 1.00 0.00 ATOM 1235 CE2 TYR A 158 1.647 62.515 9.242 1.00 0.00 ATOM 1236 CZ TYR A 158 0.839 61.868 8.346 1.00 0.00 ATOM 1237 OH TYR A 158 0.962 61.995 6.961 1.00 0.00 ATOM 1238 O TYR A 158 -1.519 59.472 14.722 1.00 0.00 ATOM 1239 C TYR A 158 -1.332 60.688 14.491 1.00 0.00 ATOM 1240 N TYR A 159 -1.244 61.588 15.460 1.00 0.00 ATOM 1241 CA TYR A 159 -1.322 61.201 16.865 1.00 0.00 ATOM 1242 CB TYR A 159 -1.063 62.406 17.759 1.00 0.00 ATOM 1243 CG TYR A 159 -1.158 62.058 19.217 1.00 0.00 ATOM 1244 CD1 TYR A 159 -0.139 61.336 19.841 1.00 0.00 ATOM 1245 CD2 TYR A 159 -2.284 62.405 19.973 1.00 0.00 ATOM 1246 CE1 TYR A 159 -0.212 60.983 21.146 1.00 0.00 ATOM 1247 CE2 TYR A 159 -2.363 62.031 21.326 1.00 0.00 ATOM 1248 CZ TYR A 159 -1.329 61.336 21.890 1.00 0.00 ATOM 1249 OH TYR A 159 -1.402 60.975 23.220 1.00 0.00 ATOM 1250 O TYR A 159 -2.841 59.575 17.739 1.00 0.00 ATOM 1251 C TYR A 159 -2.716 60.628 17.110 1.00 0.00 ATOM 1252 N LEU A 160 -3.757 61.306 16.594 1.00 0.00 ATOM 1253 CA LEU A 160 -5.144 60.809 16.699 1.00 0.00 ATOM 1254 CB LEU A 160 -6.146 61.798 16.114 1.00 0.00 ATOM 1255 CG LEU A 160 -6.235 63.149 16.815 1.00 0.00 ATOM 1256 CD1 LEU A 160 -7.191 64.065 16.043 1.00 0.00 ATOM 1257 CD2 LEU A 160 -6.650 63.016 18.300 1.00 0.00 ATOM 1258 O LEU A 160 -6.044 58.611 16.583 1.00 0.00 ATOM 1259 C LEU A 160 -5.357 59.469 16.044 1.00 0.00 ATOM 1260 N CYS A 161 -4.750 59.274 14.867 1.00 0.00 ATOM 1261 CA CYS A 161 -4.811 58.009 14.170 1.00 0.00 ATOM 1262 CB CYS A 161 -4.103 58.062 12.807 1.00 0.00 ATOM 1263 SG CYS A 161 -4.877 59.089 11.583 1.00 0.00 ATOM 1264 O CYS A 161 -4.803 55.809 15.078 1.00 0.00 ATOM 1265 C CYS A 161 -4.233 56.896 15.005 1.00 0.00 ATOM 1266 N GLY A 162 -3.091 57.147 15.631 1.00 0.00 ATOM 1267 CA GLY A 162 -2.459 56.178 16.462 1.00 0.00 ATOM 1268 O GLY A 162 -3.442 54.703 18.029 1.00 0.00 ATOM 1269 C GLY A 162 -3.238 55.847 17.716 1.00 0.00 ATOM 1270 N LYS A 163 -3.655 56.891 18.413 1.00 0.00 ATOM 1271 CA LYS A 163 -4.382 56.761 19.663 1.00 0.00 ATOM 1272 CB LYS A 163 -4.548 58.134 20.321 1.00 0.00 ATOM 1273 CG LYS A 163 -5.264 58.053 21.667 1.00 0.00 ATOM 1274 CD LYS A 163 -4.826 59.128 22.652 1.00 0.00 ATOM 1275 CE LYS A 163 -5.294 58.754 24.061 1.00 0.00 ATOM 1276 NZ LYS A 163 -6.093 59.833 24.668 1.00 0.00 ATOM 1277 O LYS A 163 -6.077 55.220 20.297 1.00 0.00 ATOM 1278 C LYS A 163 -5.718 56.065 19.478 1.00 0.00 ATOM 1279 N PHE A 164 -6.463 56.404 18.416 1.00 0.00 ATOM 1280 CA PHE A 164 -7.780 55.816 18.184 1.00 0.00 ATOM 1281 CB PHE A 164 -8.782 56.940 17.839 1.00 0.00 ATOM 1282 CG PHE A 164 -8.993 57.879 18.976 1.00 0.00 ATOM 1283 CD1 PHE A 164 -9.826 57.536 20.040 1.00 0.00 ATOM 1284 CD2 PHE A 164 -8.288 59.075 19.040 1.00 0.00 ATOM 1285 CE1 PHE A 164 -9.986 58.435 21.130 1.00 0.00 ATOM 1286 CE2 PHE A 164 -8.432 59.952 20.124 1.00 0.00 ATOM 1287 CZ PHE A 164 -9.296 59.621 21.164 1.00 0.00 ATOM 1288 O PHE A 164 -8.925 54.119 16.932 1.00 0.00 ATOM 1289 C PHE A 164 -7.846 54.679 17.169 1.00 0.00 ATOM 1290 N GLY A 165 -6.699 54.311 16.596 1.00 0.00 ATOM 1291 CA GLY A 165 -6.607 53.148 15.720 1.00 0.00 ATOM 1292 O GLY A 165 -8.060 52.638 13.884 1.00 0.00 ATOM 1293 C GLY A 165 -7.256 53.421 14.370 1.00 0.00 ATOM 1294 N LEU A 166 -6.886 54.534 13.747 1.00 0.00 ATOM 1295 CA LEU A 166 -7.581 54.986 12.519 1.00 0.00 ATOM 1296 CB LEU A 166 -8.371 56.271 12.782 1.00 0.00 ATOM 1297 CG LEU A 166 -9.418 56.309 13.905 1.00 0.00 ATOM 1298 CD1 LEU A 166 -10.003 57.730 14.037 1.00 0.00 ATOM 1299 CD2 LEU A 166 -10.500 55.294 13.608 1.00 0.00 ATOM 1300 O LEU A 166 -5.414 55.441 11.627 1.00 0.00 ATOM 1301 C LEU A 166 -6.609 55.241 11.394 1.00 0.00 ATOM 1302 N TYR A 167 -7.107 55.152 10.163 1.00 0.00 ATOM 1303 CA TYR A 167 -6.434 55.768 9.011 1.00 0.00 ATOM 1304 CB TYR A 167 -6.832 55.087 7.684 1.00 0.00 ATOM 1305 CG TYR A 167 -6.481 53.661 7.492 1.00 0.00 ATOM 1306 CD1 TYR A 167 -5.187 53.290 7.152 1.00 0.00 ATOM 1307 CD2 TYR A 167 -7.459 52.652 7.589 1.00 0.00 ATOM 1308 CE1 TYR A 167 -4.882 52.008 6.910 1.00 0.00 ATOM 1309 CE2 TYR A 167 -7.155 51.390 7.379 1.00 0.00 ATOM 1310 CZ TYR A 167 -5.831 51.063 7.057 1.00 0.00 ATOM 1311 OH TYR A 167 -5.470 49.813 6.844 1.00 0.00 ATOM 1312 O TYR A 167 -7.950 57.603 9.417 1.00 0.00 ATOM 1313 C TYR A 167 -6.836 57.244 8.958 1.00 0.00 ATOM 1314 N PRO A 168 -5.911 58.123 8.485 1.00 0.00 ATOM 1315 CA PRO A 168 -6.209 59.525 8.288 1.00 0.00 ATOM 1316 CB PRO A 168 -5.057 59.991 7.408 1.00 0.00 ATOM 1317 CG PRO A 168 -3.909 59.180 7.896 1.00 0.00 ATOM 1318 CD PRO A 168 -4.502 57.822 8.144 1.00 0.00 ATOM 1319 O PRO A 168 -8.282 60.656 7.948 1.00 0.00 ATOM 1320 C PRO A 168 -7.561 59.739 7.586 1.00 0.00 ATOM 1321 N LYS A 169 -7.899 58.892 6.612 1.00 0.00 ATOM 1322 CA LYS A 169 -9.155 59.072 5.861 1.00 0.00 ATOM 1323 CB LYS A 169 -9.234 58.102 4.670 1.00 0.00 ATOM 1324 CG LYS A 169 -9.192 56.614 5.043 1.00 0.00 ATOM 1325 CD LYS A 169 -9.531 55.742 3.886 1.00 0.00 ATOM 1326 CE LYS A 169 -9.328 54.304 4.174 1.00 0.00 ATOM 1327 NZ LYS A 169 -9.909 53.332 3.166 1.00 0.00 ATOM 1328 O LYS A 169 -11.549 59.249 6.278 1.00 0.00 ATOM 1329 C LYS A 169 -10.429 58.912 6.720 1.00 0.00 ATOM 1330 N GLN A 170 -10.280 58.319 7.906 1.00 0.00 ATOM 1331 CA GLN A 170 -11.391 58.150 8.832 1.00 0.00 ATOM 1332 CB GLN A 170 -11.216 56.873 9.645 1.00 0.00 ATOM 1333 CG GLN A 170 -11.241 55.623 8.781 1.00 0.00 ATOM 1334 CD GLN A 170 -10.998 54.374 9.615 1.00 0.00 ATOM 1335 OE1 GLN A 170 -9.888 54.165 10.124 1.00 0.00 ATOM 1336 NE2 GLN A 170 -12.014 53.513 9.723 1.00 0.00 ATOM 1337 O GLN A 170 -12.434 59.289 10.638 1.00 0.00 ATOM 1338 C GLN A 170 -11.571 59.325 9.769 1.00 0.00 ATOM 1339 N ILE A 171 -10.786 60.395 9.584 1.00 0.00 ATOM 1340 CA ILE A 171 -10.915 61.611 10.396 1.00 0.00 ATOM 1341 CB ILE A 171 -9.565 62.092 11.057 1.00 0.00 ATOM 1342 CG1 ILE A 171 -9.013 61.021 11.982 1.00 0.00 ATOM 1343 CG2 ILE A 171 -9.736 63.496 11.797 1.00 0.00 ATOM 1344 CD1 ILE A 171 -7.602 61.384 12.535 1.00 0.00 ATOM 1345 O ILE A 171 -10.937 62.955 8.403 1.00 0.00 ATOM 1346 C ILE A 171 -11.460 62.720 9.506 1.00 0.00 ATOM 1347 N LEU A 172 -12.540 63.350 9.961 1.00 0.00 ATOM 1348 CA LEU A 172 -13.006 64.623 9.397 1.00 0.00 ATOM 1349 CB LEU A 172 -14.524 64.680 9.375 1.00 0.00 ATOM 1350 CG LEU A 172 -15.254 65.950 8.924 1.00 0.00 ATOM 1351 CD1 LEU A 172 -14.900 66.294 7.482 1.00 0.00 ATOM 1352 CD2 LEU A 172 -16.767 65.851 9.137 1.00 0.00 ATOM 1353 O LEU A 172 -12.727 65.705 11.492 1.00 0.00 ATOM 1354 C LEU A 172 -12.531 65.742 10.276 1.00 0.00 ATOM 1355 N PHE A 173 -11.926 66.760 9.666 1.00 0.00 ATOM 1356 CA PHE A 173 -11.463 67.901 10.423 1.00 0.00 ATOM 1357 CB PHE A 173 -9.959 68.191 10.236 1.00 0.00 ATOM 1358 CG PHE A 173 -9.414 69.029 11.366 1.00 0.00 ATOM 1359 CD1 PHE A 173 -9.187 68.456 12.618 1.00 0.00 ATOM 1360 CD2 PHE A 173 -9.241 70.373 11.244 1.00 0.00 ATOM 1361 CE1 PHE A 173 -8.765 69.230 13.693 1.00 0.00 ATOM 1362 CE2 PHE A 173 -8.826 71.135 12.314 1.00 0.00 ATOM 1363 CZ PHE A 173 -8.600 70.570 13.535 1.00 0.00 ATOM 1364 O PHE A 173 -12.669 69.315 8.915 1.00 0.00 ATOM 1365 C PHE A 173 -12.275 69.143 10.073 1.00 0.00 ATOM 1366 N VAL A 174 -12.484 69.986 11.090 1.00 0.00 ATOM 1367 CA VAL A 174 -13.250 71.242 10.977 1.00 0.00 ATOM 1368 CB VAL A 174 -14.606 71.150 11.742 1.00 0.00 ATOM 1369 CG1 VAL A 174 -15.407 72.434 11.608 1.00 0.00 ATOM 1370 CG2 VAL A 174 -15.444 69.967 11.221 1.00 0.00 ATOM 1371 O VAL A 174 -12.036 72.468 12.660 1.00 0.00 ATOM 1372 C VAL A 174 -12.415 72.411 11.494 1.00 0.00 ATOM 1373 N GLY A 175 -12.094 73.337 10.611 1.00 0.00 ATOM 1374 CA GLY A 175 -11.299 74.490 10.974 1.00 0.00 ATOM 1375 O GLY A 175 -12.615 75.760 9.448 1.00 0.00 ATOM 1376 C GLY A 175 -11.716 75.756 10.272 1.00 0.00 ATOM 1377 N ASP A 176 -11.007 76.820 10.599 1.00 0.00 ATOM 1378 CA ASP A 176 -11.315 78.157 10.132 1.00 0.00 ATOM 1379 CB ASP A 176 -11.873 78.957 11.305 1.00 0.00 ATOM 1380 CG ASP A 176 -10.831 79.122 12.446 1.00 0.00 ATOM 1381 OD1 ASP A 176 -10.516 78.094 13.115 1.00 0.00 ATOM 1382 OD2 ASP A 176 -10.342 80.266 12.679 1.00 0.00 ATOM 1383 O ASP A 176 -10.196 80.010 9.149 1.00 0.00 ATOM 1384 C ASP A 176 -10.085 78.876 9.560 1.00 0.00 ATOM 1385 N SER A 177 -8.923 78.213 9.525 1.00 0.00 ATOM 1386 CA SER A 177 -7.731 78.846 8.969 1.00 0.00 ATOM 1387 CB SER A 177 -6.844 79.374 10.080 1.00 0.00 ATOM 1388 OG SER A 177 -5.871 78.412 10.440 1.00 0.00 ATOM 1389 O SER A 177 -7.056 76.652 8.170 1.00 0.00 ATOM 1390 C SER A 177 -6.924 77.882 8.095 1.00 0.00 ATOM 1391 N GLN A 178 -6.062 78.445 7.272 1.00 0.00 ATOM 1392 CA GLN A 178 -5.210 77.630 6.426 1.00 0.00 ATOM 1393 CB GLN A 178 -4.353 78.499 5.501 1.00 0.00 ATOM 1394 CG GLN A 178 -3.365 79.355 6.251 1.00 0.00 ATOM 1395 CD GLN A 178 -2.453 80.139 5.333 1.00 0.00 ATOM 1396 OE1 GLN A 178 -2.858 80.570 4.273 1.00 0.00 ATOM 1397 NE2 GLN A 178 -1.217 80.337 5.757 1.00 0.00 ATOM 1398 O GLN A 178 -3.851 75.677 6.659 1.00 0.00 ATOM 1399 C GLN A 178 -4.314 76.683 7.208 1.00 0.00 ATOM 1400 N ASN A 179 -4.023 76.991 8.473 1.00 0.00 ATOM 1401 CA ASN A 179 -3.245 76.067 9.305 1.00 0.00 ATOM 1402 CB ASN A 179 -3.090 76.639 10.712 1.00 0.00 ATOM 1403 CG ASN A 179 -2.337 77.950 10.701 1.00 0.00 ATOM 1404 ND2 ASN A 179 -3.046 79.063 10.951 1.00 0.00 ATOM 1405 OD1 ASN A 179 -1.173 77.970 10.365 1.00 0.00 ATOM 1406 O ASN A 179 -3.360 73.679 9.331 1.00 0.00 ATOM 1407 C ASN A 179 -3.970 74.730 9.389 1.00 0.00 ATOM 1408 N ASP A 180 -5.287 74.808 9.576 1.00 0.00 ATOM 1409 CA ASP A 180 -6.148 73.623 9.712 1.00 0.00 ATOM 1410 CB ASP A 180 -7.566 74.052 10.102 1.00 0.00 ATOM 1411 CG ASP A 180 -7.607 74.814 11.442 1.00 0.00 ATOM 1412 OD1 ASP A 180 -7.047 74.264 12.404 1.00 0.00 ATOM 1413 OD2 ASP A 180 -8.208 75.922 11.523 1.00 0.00 ATOM 1414 O ASP A 180 -6.035 71.648 8.344 1.00 0.00 ATOM 1415 C ASP A 180 -6.195 72.870 8.384 1.00 0.00 ATOM 1416 N ILE A 181 -6.415 73.620 7.313 1.00 0.00 ATOM 1417 CA ILE A 181 -6.676 73.044 5.986 1.00 0.00 ATOM 1418 CB ILE A 181 -7.179 74.099 4.990 1.00 0.00 ATOM 1419 CG1 ILE A 181 -8.457 74.871 5.466 1.00 0.00 ATOM 1420 CG2 ILE A 181 -7.433 73.495 3.571 1.00 0.00 ATOM 1421 CD1 ILE A 181 -9.410 74.130 6.245 1.00 0.00 ATOM 1422 O ILE A 181 -5.420 71.252 4.950 1.00 0.00 ATOM 1423 C ILE A 181 -5.384 72.387 5.454 1.00 0.00 ATOM 1424 N PHE A 182 -4.246 73.070 5.571 1.00 0.00 ATOM 1425 CA PHE A 182 -2.989 72.502 5.112 1.00 0.00 ATOM 1426 CB PHE A 182 -1.819 73.499 5.225 1.00 0.00 ATOM 1427 CG PHE A 182 -1.936 74.713 4.337 1.00 0.00 ATOM 1428 CD1 PHE A 182 -2.732 74.721 3.211 1.00 0.00 ATOM 1429 CD2 PHE A 182 -1.231 75.863 4.656 1.00 0.00 ATOM 1430 CE1 PHE A 182 -2.850 75.854 2.424 1.00 0.00 ATOM 1431 CE2 PHE A 182 -1.332 76.984 3.849 1.00 0.00 ATOM 1432 CZ PHE A 182 -2.149 76.960 2.733 1.00 0.00 ATOM 1433 O PHE A 182 -2.086 70.298 5.301 1.00 0.00 ATOM 1434 C PHE A 182 -2.607 71.253 5.891 1.00 0.00 ATOM 1435 N ALA A 183 -2.789 71.268 7.208 1.00 0.00 ATOM 1436 CA ALA A 183 -2.500 70.070 8.033 1.00 0.00 ATOM 1437 CB ALA A 183 -2.743 70.348 9.548 1.00 0.00 ATOM 1438 O ALA A 183 -2.812 67.767 7.422 1.00 0.00 ATOM 1439 C ALA A 183 -3.343 68.876 7.562 1.00 0.00 ATOM 1440 N ALA A 184 -4.639 69.114 7.333 1.00 0.00 ATOM 1441 CA ALA A 184 -5.563 68.069 6.892 1.00 0.00 ATOM 1442 CB ALA A 184 -7.041 68.621 6.872 1.00 0.00 ATOM 1443 O ALA A 184 -5.182 66.295 5.307 1.00 0.00 ATOM 1444 C ALA A 184 -5.188 67.510 5.535 1.00 0.00 ATOM 1445 N HIS A 185 -4.887 68.390 4.590 1.00 0.00 ATOM 1446 CA HIS A 185 -4.473 67.964 3.255 1.00 0.00 ATOM 1447 CB HIS A 185 -4.196 69.145 2.348 1.00 0.00 ATOM 1448 CG HIS A 185 -5.402 69.883 1.879 1.00 0.00 ATOM 1449 CD2 HIS A 185 -5.522 71.150 1.411 1.00 0.00 ATOM 1450 ND1 HIS A 185 -6.659 69.315 1.795 1.00 0.00 ATOM 1451 CE1 HIS A 185 -7.505 70.215 1.345 1.00 0.00 ATOM 1452 NE2 HIS A 185 -6.835 71.324 1.063 1.00 0.00 ATOM 1453 O HIS A 185 -3.102 66.097 2.703 1.00 0.00 ATOM 1454 C HIS A 185 -3.218 67.137 3.328 1.00 0.00 ATOM 1455 N SER A 186 -2.262 67.576 4.122 1.00 0.00 ATOM 1456 CA SER A 186 -1.013 66.837 4.253 1.00 0.00 ATOM 1457 CB SER A 186 0.044 67.660 5.031 1.00 0.00 ATOM 1458 OG SER A 186 1.327 66.985 4.944 1.00 0.00 ATOM 1459 O SER A 186 -0.624 64.460 4.476 1.00 0.00 ATOM 1460 C SER A 186 -1.194 65.448 4.920 1.00 0.00 ATOM 1461 N ALA A 187 -2.036 65.337 5.920 1.00 0.00 ATOM 1462 CA ALA A 187 -2.272 64.040 6.602 1.00 0.00 ATOM 1463 CB ALA A 187 -2.919 64.313 7.962 1.00 0.00 ATOM 1464 O ALA A 187 -3.101 61.889 5.989 1.00 0.00 ATOM 1465 C ALA A 187 -3.178 63.097 5.806 1.00 0.00 ATOM 1466 N GLY A 188 -4.058 63.669 4.980 1.00 0.00 ATOM 1467 CA GLY A 188 -5.017 62.906 4.174 1.00 0.00 ATOM 1468 O GLY A 188 -7.167 61.867 4.497 1.00 0.00 ATOM 1469 C GLY A 188 -6.433 62.827 4.751 1.00 0.00 ATOM 1470 N CYS A 189 -6.808 63.844 5.532 1.00 0.00 ATOM 1471 CA CYS A 189 -8.096 63.932 6.226 1.00 0.00 ATOM 1472 CB CYS A 189 -7.923 64.529 7.661 1.00 0.00 ATOM 1473 SG CYS A 189 -6.743 63.597 8.639 1.00 0.00 ATOM 1474 O CYS A 189 -8.477 65.854 4.957 1.00 0.00 ATOM 1475 C CYS A 189 -8.967 64.864 5.424 1.00 0.00 ATOM 1476 N ALA A 190 -10.255 64.543 5.265 1.00 0.00 ATOM 1477 CA ALA A 190 -11.216 65.500 4.671 1.00 0.00 ATOM 1478 CB ALA A 190 -12.573 64.838 4.428 1.00 0.00 ATOM 1479 O ALA A 190 -11.248 66.514 6.850 1.00 0.00 ATOM 1480 C ALA A 190 -11.364 66.672 5.623 1.00 0.00 ATOM 1481 N VAL A 191 -11.609 67.868 5.082 1.00 0.00 ATOM 1482 CA VAL A 191 -11.624 69.059 5.918 1.00 0.00 ATOM 1483 CB VAL A 191 -10.207 69.759 5.989 1.00 0.00 ATOM 1484 CG1 VAL A 191 -9.771 70.272 4.599 1.00 0.00 ATOM 1485 CG2 VAL A 191 -10.196 70.891 7.075 1.00 0.00 ATOM 1486 O VAL A 191 -12.853 70.401 4.341 1.00 0.00 ATOM 1487 C VAL A 191 -12.680 70.061 5.522 1.00 0.00 ATOM 1488 N VAL A 192 -13.415 70.507 6.530 1.00 0.00 ATOM 1489 CA VAL A 192 -14.353 71.615 6.413 1.00 0.00 ATOM 1490 CB VAL A 192 -15.529 71.473 7.400 1.00 0.00 ATOM 1491 CG1 VAL A 192 -16.417 72.741 7.383 1.00 0.00 ATOM 1492 CG2 VAL A 192 -16.364 70.212 7.093 1.00 0.00 ATOM 1493 O VAL A 192 -13.018 73.023 7.854 1.00 0.00 ATOM 1494 C VAL A 192 -13.635 72.927 6.786 1.00 0.00 ATOM 1495 N GLY A 193 -13.718 73.905 5.880 1.00 0.00 ATOM 1496 CA GLY A 193 -13.352 75.268 6.165 1.00 0.00 ATOM 1497 O GLY A 193 -15.453 76.325 5.628 1.00 0.00 ATOM 1498 C GLY A 193 -14.554 76.139 6.478 1.00 0.00 ATOM 1499 N LEU A 194 -14.539 76.721 7.667 1.00 0.00 ATOM 1500 CA LEU A 194 -15.540 77.706 8.099 1.00 0.00 ATOM 1501 CB LEU A 194 -15.770 77.614 9.621 1.00 0.00 ATOM 1502 CG LEU A 194 -16.242 76.225 10.094 1.00 0.00 ATOM 1503 CD1 LEU A 194 -15.918 76.061 11.579 1.00 0.00 ATOM 1504 CD2 LEU A 194 -17.713 76.034 9.805 1.00 0.00 ATOM 1505 O LEU A 194 -13.941 79.463 7.784 1.00 0.00 ATOM 1506 C LEU A 194 -15.118 79.115 7.712 1.00 0.00 ATOM 1507 N THR A 195 -16.079 79.919 7.296 1.00 0.00 ATOM 1508 CA THR A 195 -15.799 81.241 6.761 1.00 0.00 ATOM 1509 CB THR A 195 -16.744 81.605 5.663 1.00 0.00 ATOM 1510 CG2 THR A 195 -16.656 80.657 4.504 1.00 0.00 ATOM 1511 OG1 THR A 195 -18.085 81.649 6.177 1.00 0.00 ATOM 1512 O THR A 195 -15.661 83.491 7.563 1.00 0.00 ATOM 1513 C THR A 195 -15.869 82.342 7.853 1.00 0.00 ATOM 1514 N TYR A 196 -16.084 81.991 9.115 1.00 0.00 ATOM 1515 CA TYR A 196 -16.301 83.001 10.119 1.00 0.00 ATOM 1516 CB TYR A 196 -17.584 82.729 10.863 1.00 0.00 ATOM 1517 CG TYR A 196 -17.700 81.367 11.571 1.00 0.00 ATOM 1518 CD1 TYR A 196 -16.721 80.895 12.446 1.00 0.00 ATOM 1519 CD2 TYR A 196 -18.794 80.601 11.383 1.00 0.00 ATOM 1520 CE1 TYR A 196 -16.872 79.684 13.102 1.00 0.00 ATOM 1521 CE2 TYR A 196 -18.967 79.390 12.075 1.00 0.00 ATOM 1522 CZ TYR A 196 -18.033 78.962 12.927 1.00 0.00 ATOM 1523 OH TYR A 196 -18.229 77.782 13.605 1.00 0.00 ATOM 1524 O TYR A 196 -15.344 84.060 12.007 1.00 0.00 ATOM 1525 C TYR A 196 -15.186 83.242 11.094 1.00 0.00 ATOM 1526 N GLY A 197 -14.048 82.597 10.869 1.00 0.00 ATOM 1527 CA GLY A 197 -12.973 82.543 11.827 1.00 0.00 ATOM 1528 O GLY A 197 -11.932 84.474 10.927 1.00 0.00 ATOM 1529 C GLY A 197 -11.767 83.398 11.467 1.00 0.00 ATOM 1530 N TYR A 198 -10.561 82.931 11.784 1.00 0.00 ATOM 1531 CA TYR A 198 -9.402 83.807 11.767 1.00 0.00 ATOM 1532 CB TYR A 198 -8.780 83.996 13.191 1.00 0.00 ATOM 1533 CG TYR A 198 -9.769 84.127 14.354 1.00 0.00 ATOM 1534 CD1 TYR A 198 -10.923 84.901 14.246 1.00 0.00 ATOM 1535 CD2 TYR A 198 -9.530 83.499 15.560 1.00 0.00 ATOM 1536 CE1 TYR A 198 -11.868 84.974 15.302 1.00 0.00 ATOM 1537 CE2 TYR A 198 -10.454 83.606 16.638 1.00 0.00 ATOM 1538 CZ TYR A 198 -11.612 84.327 16.486 1.00 0.00 ATOM 1539 OH TYR A 198 -12.505 84.438 17.525 1.00 0.00 ATOM 1540 O TYR A 198 -7.767 82.221 11.085 1.00 0.00 ATOM 1541 C TYR A 198 -8.392 83.243 10.796 1.00 0.00 ATOM 1542 N ASN A 199 -8.236 83.901 9.649 1.00 0.00 ATOM 1543 CA ASN A 199 -7.359 83.393 8.589 1.00 0.00 ATOM 1544 CB ASN A 199 -8.201 82.608 7.558 1.00 0.00 ATOM 1545 CG ASN A 199 -7.345 81.785 6.615 1.00 0.00 ATOM 1546 ND2 ASN A 199 -7.739 81.719 5.346 1.00 0.00 ATOM 1547 OD1 ASN A 199 -6.325 81.217 7.041 1.00 0.00 ATOM 1548 O ASN A 199 -6.454 84.529 6.659 1.00 0.00 ATOM 1549 C ASN A 199 -6.562 84.489 7.902 1.00 0.00 ATOM 1550 N TYR A 200 -6.027 85.423 8.697 1.00 0.00 ATOM 1551 CA TYR A 200 -5.071 86.396 8.176 1.00 0.00 ATOM 1552 CB TYR A 200 -3.828 85.669 7.604 1.00 0.00 ATOM 1553 CG TYR A 200 -3.278 84.592 8.505 1.00 0.00 ATOM 1554 CD1 TYR A 200 -2.504 84.918 9.625 1.00 0.00 ATOM 1555 CD2 TYR A 200 -3.551 83.262 8.270 1.00 0.00 ATOM 1556 CE1 TYR A 200 -1.999 83.920 10.477 1.00 0.00 ATOM 1557 CE2 TYR A 200 -3.065 82.260 9.106 1.00 0.00 ATOM 1558 CZ TYR A 200 -2.280 82.597 10.204 1.00 0.00 ATOM 1559 OH TYR A 200 -1.807 81.602 11.024 1.00 0.00 ATOM 1560 O TYR A 200 -4.930 87.753 6.213 1.00 0.00 ATOM 1561 C TYR A 200 -5.659 87.299 7.096 1.00 0.00 ATOM 1562 N ASN A 201 -6.971 87.536 7.149 1.00 0.00 ATOM 1563 CA ASN A 201 -7.685 88.248 6.105 1.00 0.00 ATOM 1564 CB ASN A 201 -7.233 89.733 6.005 1.00 0.00 ATOM 1565 CG ASN A 201 -7.655 90.569 7.221 1.00 0.00 ATOM 1566 ND2 ASN A 201 -6.726 91.332 7.762 1.00 0.00 ATOM 1567 OD1 ASN A 201 -8.808 90.555 7.631 1.00 0.00 ATOM 1568 O ASN A 201 -7.936 88.198 3.718 1.00 0.00 ATOM 1569 C ASN A 201 -7.675 87.556 4.722 1.00 0.00 ATOM 1570 N ILE A 202 -7.364 86.260 4.674 1.00 0.00 ATOM 1571 CA ILE A 202 -7.378 85.480 3.434 1.00 0.00 ATOM 1572 CB ILE A 202 -6.190 84.486 3.397 1.00 0.00 ATOM 1573 CG1 ILE A 202 -4.854 85.198 3.564 1.00 0.00 ATOM 1574 CG2 ILE A 202 -6.212 83.627 2.130 1.00 0.00 ATOM 1575 CD1 ILE A 202 -3.726 84.222 3.827 1.00 0.00 ATOM 1576 O ILE A 202 -9.119 84.096 4.405 1.00 0.00 ATOM 1577 C ILE A 202 -8.703 84.670 3.389 1.00 0.00 ATOM 1578 N PRO A 203 -9.353 84.593 2.212 1.00 0.00 ATOM 1579 CA PRO A 203 -10.555 83.764 2.123 1.00 0.00 ATOM 1580 CB PRO A 203 -11.013 83.974 0.668 1.00 0.00 ATOM 1581 CG PRO A 203 -10.362 85.267 0.260 1.00 0.00 ATOM 1582 CD PRO A 203 -9.053 85.238 0.915 1.00 0.00 ATOM 1583 O PRO A 203 -9.136 81.842 1.929 1.00 0.00 ATOM 1584 C PRO A 203 -10.192 82.291 2.369 1.00 0.00 ATOM 1585 N ILE A 204 -11.029 81.580 3.111 1.00 0.00 ATOM 1586 CA ILE A 204 -10.755 80.176 3.425 1.00 0.00 ATOM 1587 CB ILE A 204 -11.713 79.642 4.537 1.00 0.00 ATOM 1588 CG1 ILE A 204 -11.091 78.451 5.287 1.00 0.00 ATOM 1589 CG2 ILE A 204 -13.061 79.279 3.997 1.00 0.00 ATOM 1590 CD1 ILE A 204 -9.650 78.642 5.749 1.00 0.00 ATOM 1591 O ILE A 204 -10.082 78.329 2.034 1.00 0.00 ATOM 1592 C ILE A 204 -10.769 79.344 2.124 1.00 0.00 ATOM 1593 N ALA A 205 -11.499 79.795 1.097 1.00 0.00 ATOM 1594 CA ALA A 205 -11.525 79.068 -0.173 1.00 0.00 ATOM 1595 CB ALA A 205 -12.527 79.655 -1.201 1.00 0.00 ATOM 1596 O ALA A 205 -9.835 78.123 -1.539 1.00 0.00 ATOM 1597 C ALA A 205 -10.123 79.017 -0.783 1.00 0.00 ATOM 1598 N GLN A 206 -9.249 79.955 -0.462 1.00 0.00 ATOM 1599 CA GLN A 206 -7.957 79.962 -1.122 1.00 0.00 ATOM 1600 CB GLN A 206 -7.189 81.217 -0.740 1.00 0.00 ATOM 1601 CG GLN A 206 -5.851 81.346 -1.393 1.00 0.00 ATOM 1602 CD GLN A 206 -5.199 82.649 -1.068 1.00 0.00 ATOM 1603 OE1 GLN A 206 -5.731 83.719 -1.368 1.00 0.00 ATOM 1604 NE2 GLN A 206 -4.044 82.576 -0.462 1.00 0.00 ATOM 1605 O GLN A 206 -6.317 78.272 -1.650 1.00 0.00 ATOM 1606 C GLN A 206 -7.120 78.700 -0.820 1.00 0.00 ATOM 1607 N SER A 207 -7.314 78.097 0.346 1.00 0.00 ATOM 1608 CA SER A 207 -6.580 76.872 0.701 1.00 0.00 ATOM 1609 CB SER A 207 -6.288 76.874 2.213 1.00 0.00 ATOM 1610 OG SER A 207 -7.497 76.953 2.921 1.00 0.00 ATOM 1611 O SER A 207 -6.841 74.482 0.501 1.00 0.00 ATOM 1612 C SER A 207 -7.316 75.570 0.257 1.00 0.00 ATOM 1613 N LYS A 208 -8.461 75.720 -0.398 1.00 0.00 ATOM 1614 CA LYS A 208 -9.178 74.627 -1.039 1.00 0.00 ATOM 1615 CB LYS A 208 -8.365 74.064 -2.232 1.00 0.00 ATOM 1616 CG LYS A 208 -7.970 75.138 -3.285 1.00 0.00 ATOM 1617 CD LYS A 208 -7.495 74.540 -4.614 1.00 0.00 ATOM 1618 O LYS A 208 -9.171 72.385 -0.202 1.00 0.00 ATOM 1619 C LYS A 208 -9.556 73.520 -0.031 1.00 0.00 ATOM 1620 N PRO A 209 -10.349 73.864 0.983 1.00 0.00 ATOM 1621 CA PRO A 209 -10.920 72.839 1.851 1.00 0.00 ATOM 1622 CB PRO A 209 -11.668 73.650 2.907 1.00 0.00 ATOM 1623 CG PRO A 209 -11.976 74.922 2.279 1.00 0.00 ATOM 1624 CD PRO A 209 -10.854 75.210 1.325 1.00 0.00 ATOM 1625 O PRO A 209 -12.363 72.391 -0.043 1.00 0.00 ATOM 1626 C PRO A 209 -11.903 71.988 1.041 1.00 0.00 ATOM 1627 N ASP A 210 -12.197 70.811 1.542 1.00 0.00 ATOM 1628 CA ASP A 210 -13.165 69.961 0.884 1.00 0.00 ATOM 1629 CB ASP A 210 -13.115 68.569 1.479 1.00 0.00 ATOM 1630 CG ASP A 210 -11.738 67.954 1.342 1.00 0.00 ATOM 1631 OD1 ASP A 210 -11.387 67.619 0.190 1.00 0.00 ATOM 1632 OD2 ASP A 210 -11.019 67.890 2.358 1.00 0.00 ATOM 1633 O ASP A 210 -15.350 70.292 -0.017 1.00 0.00 ATOM 1634 C ASP A 210 -14.573 70.525 0.920 1.00 0.00 ATOM 1635 N TRP A 211 -14.929 71.230 1.979 1.00 0.00 ATOM 1636 CA TRP A 211 -16.220 71.950 2.028 1.00 0.00 ATOM 1637 CB TRP A 211 -17.242 71.277 2.941 1.00 0.00 ATOM 1638 CG TRP A 211 -17.640 69.878 2.619 1.00 0.00 ATOM 1639 CD1 TRP A 211 -18.675 69.475 1.856 1.00 0.00 ATOM 1640 CD2 TRP A 211 -16.984 68.687 3.084 1.00 0.00 ATOM 1641 CE2 TRP A 211 -17.700 67.599 2.589 1.00 0.00 ATOM 1642 CE3 TRP A 211 -15.855 68.447 3.873 1.00 0.00 ATOM 1643 NE1 TRP A 211 -18.745 68.103 1.856 1.00 0.00 ATOM 1644 CZ2 TRP A 211 -17.334 66.278 2.864 1.00 0.00 ATOM 1645 CZ3 TRP A 211 -15.495 67.130 4.130 1.00 0.00 ATOM 1646 CH2 TRP A 211 -16.228 66.073 3.600 1.00 0.00 ATOM 1647 O TRP A 211 -15.067 73.488 3.373 1.00 0.00 ATOM 1648 C TRP A 211 -15.985 73.313 2.594 1.00 0.00 ATOM 1649 N ILE A 212 -16.810 74.288 2.195 1.00 0.00 ATOM 1650 CA ILE A 212 -16.739 75.636 2.752 1.00 0.00 ATOM 1651 CB ILE A 212 -16.336 76.694 1.707 1.00 0.00 ATOM 1652 CG1 ILE A 212 -14.914 76.425 1.182 1.00 0.00 ATOM 1653 CG2 ILE A 212 -16.374 78.128 2.328 1.00 0.00 ATOM 1654 CD1 ILE A 212 -14.630 76.992 -0.183 1.00 0.00 ATOM 1655 O ILE A 212 -19.135 75.888 2.570 1.00 0.00 ATOM 1656 C ILE A 212 -18.142 75.938 3.311 1.00 0.00 ATOM 1657 N PHE A 213 -18.208 76.210 4.605 1.00 0.00 ATOM 1658 CA PHE A 213 -19.471 76.445 5.298 1.00 0.00 ATOM 1659 CB PHE A 213 -19.792 75.319 6.280 1.00 0.00 ATOM 1660 CG PHE A 213 -20.100 73.966 5.652 1.00 0.00 ATOM 1661 CD1 PHE A 213 -20.714 73.820 4.425 1.00 0.00 ATOM 1662 CD2 PHE A 213 -19.813 72.818 6.394 1.00 0.00 ATOM 1663 CE1 PHE A 213 -20.980 72.571 3.907 1.00 0.00 ATOM 1664 CE2 PHE A 213 -20.076 71.580 5.901 1.00 0.00 ATOM 1665 CZ PHE A 213 -20.651 71.440 4.651 1.00 0.00 ATOM 1666 O PHE A 213 -18.493 78.161 6.702 1.00 0.00 ATOM 1667 C PHE A 213 -19.474 77.766 6.073 1.00 0.00 ATOM 1668 N ASP A 214 -20.604 78.446 5.995 1.00 0.00 ATOM 1669 CA ASP A 214 -20.883 79.639 6.801 1.00 0.00 ATOM 1670 CB ASP A 214 -21.889 80.547 6.075 1.00 0.00 ATOM 1671 CG ASP A 214 -21.362 81.103 4.758 1.00 0.00 ATOM 1672 OD1 ASP A 214 -20.142 81.264 4.604 1.00 0.00 ATOM 1673 OD2 ASP A 214 -22.186 81.421 3.878 1.00 0.00 ATOM 1674 O ASP A 214 -21.549 80.266 8.999 1.00 0.00 ATOM 1675 C ASP A 214 -21.497 79.350 8.178 1.00 0.00 ATOM 1676 N ASP A 215 -22.057 78.151 8.380 1.00 0.00 ATOM 1677 CA ASP A 215 -22.774 77.783 9.629 1.00 0.00 ATOM 1678 CB ASP A 215 -24.305 77.543 9.435 1.00 0.00 ATOM 1679 CG ASP A 215 -25.164 77.354 10.744 1.00 0.00 ATOM 1680 OD1 ASP A 215 -24.693 77.025 11.928 1.00 0.00 ATOM 1681 OD2 ASP A 215 -26.421 77.442 10.549 1.00 0.00 ATOM 1682 O ASP A 215 -22.220 75.461 9.346 1.00 0.00 ATOM 1683 C ASP A 215 -22.205 76.442 10.094 1.00 0.00 ATOM 1684 N PHE A 216 -21.765 76.402 11.331 1.00 0.00 ATOM 1685 CA PHE A 216 -21.263 75.180 11.947 1.00 0.00 ATOM 1686 CB PHE A 216 -20.958 75.514 13.401 1.00 0.00 ATOM 1687 CG PHE A 216 -20.183 74.469 14.135 1.00 0.00 ATOM 1688 CD1 PHE A 216 -18.780 74.494 14.146 1.00 0.00 ATOM 1689 CD2 PHE A 216 -20.847 73.512 14.902 1.00 0.00 ATOM 1690 CE1 PHE A 216 -18.059 73.554 14.884 1.00 0.00 ATOM 1691 CE2 PHE A 216 -20.135 72.580 15.604 1.00 0.00 ATOM 1692 CZ PHE A 216 -18.748 72.616 15.617 1.00 0.00 ATOM 1693 O PHE A 216 -21.859 72.851 11.690 1.00 0.00 ATOM 1694 C PHE A 216 -22.264 74.011 11.851 1.00 0.00 ATOM 1695 N ALA A 217 -23.551 74.310 11.934 1.00 0.00 ATOM 1696 CA ALA A 217 -24.589 73.273 11.801 1.00 0.00 ATOM 1697 CB ALA A 217 -26.013 73.868 12.112 1.00 0.00 ATOM 1698 O ALA A 217 -25.089 71.406 10.341 1.00 0.00 ATOM 1699 C ALA A 217 -24.590 72.532 10.444 1.00 0.00 ATOM 1700 N ASP A 218 -24.060 73.160 9.397 1.00 0.00 ATOM 1701 CA ASP A 218 -23.928 72.500 8.084 1.00 0.00 ATOM 1702 CB ASP A 218 -23.321 73.461 7.071 1.00 0.00 ATOM 1703 CG ASP A 218 -24.317 74.541 6.649 1.00 0.00 ATOM 1704 OD1 ASP A 218 -25.515 74.224 6.671 1.00 0.00 ATOM 1705 OD2 ASP A 218 -23.899 75.684 6.334 1.00 0.00 ATOM 1706 O ASP A 218 -23.220 70.368 7.219 1.00 0.00 ATOM 1707 C ASP A 218 -23.091 71.217 8.123 1.00 0.00 ATOM 1708 N ILE A 219 -22.239 71.070 9.142 1.00 0.00 ATOM 1709 CA ILE A 219 -21.459 69.831 9.336 1.00 0.00 ATOM 1710 CB ILE A 219 -20.591 69.889 10.608 1.00 0.00 ATOM 1711 CG1 ILE A 219 -19.501 70.936 10.452 1.00 0.00 ATOM 1712 CG2 ILE A 219 -19.963 68.516 10.948 1.00 0.00 ATOM 1713 CD1 ILE A 219 -18.959 71.358 11.850 1.00 0.00 ATOM 1714 O ILE A 219 -22.059 67.544 8.928 1.00 0.00 ATOM 1715 C ILE A 219 -22.386 68.622 9.423 1.00 0.00 ATOM 1716 N LEU A 220 -23.605 68.824 9.911 1.00 0.00 ATOM 1717 CA LEU A 220 -24.547 67.724 10.005 1.00 0.00 ATOM 1718 CB LEU A 220 -25.733 68.112 10.885 1.00 0.00 ATOM 1719 CG LEU A 220 -25.391 68.406 12.341 1.00 0.00 ATOM 1720 CD1 LEU A 220 -26.645 68.920 13.045 1.00 0.00 ATOM 1721 CD2 LEU A 220 -24.766 67.208 13.082 1.00 0.00 ATOM 1722 O LEU A 220 -25.406 66.046 8.500 1.00 0.00 ATOM 1723 C LEU A 220 -25.029 67.217 8.640 1.00 0.00 ATOM 1724 N LYS A 221 -25.023 68.086 7.640 1.00 0.00 ATOM 1725 CA LYS A 221 -25.382 67.702 6.284 1.00 0.00 ATOM 1726 CB LYS A 221 -25.492 68.969 5.424 1.00 0.00 ATOM 1727 CG LYS A 221 -26.653 69.858 5.810 1.00 0.00 ATOM 1728 CD LYS A 221 -26.543 71.265 5.254 1.00 0.00 ATOM 1729 CE LYS A 221 -27.809 72.096 5.622 1.00 0.00 ATOM 1730 NZ LYS A 221 -27.724 73.527 5.190 1.00 0.00 ATOM 1731 O LYS A 221 -24.685 65.976 4.756 1.00 0.00 ATOM 1732 C LYS A 221 -24.374 66.717 5.662 1.00 0.00 ATOM 1733 N ILE A 222 -23.156 66.681 6.165 1.00 0.00 ATOM 1734 CA ILE A 222 -22.127 65.813 5.620 1.00 0.00 ATOM 1735 CB ILE A 222 -20.794 66.626 5.217 1.00 0.00 ATOM 1736 CG1 ILE A 222 -20.073 67.222 6.389 1.00 0.00 ATOM 1737 CG2 ILE A 222 -21.135 67.743 4.255 1.00 0.00 ATOM 1738 CD1 ILE A 222 -18.754 67.883 6.031 1.00 0.00 ATOM 1739 O ILE A 222 -20.811 63.941 6.268 1.00 0.00 ATOM 1740 C ILE A 222 -21.788 64.655 6.533 1.00 0.00 ATOM 1741 N THR A 223 -22.518 64.487 7.639 1.00 0.00 ATOM 1742 CA THR A 223 -22.227 63.387 8.596 1.00 0.00 ATOM 1743 CB THR A 223 -21.747 63.890 9.965 1.00 0.00 ATOM 1744 CG2 THR A 223 -20.348 64.459 9.847 1.00 0.00 ATOM 1745 OG1 THR A 223 -22.672 64.882 10.431 1.00 0.00 ATOM 1746 O THR A 223 -23.393 61.616 9.672 1.00 0.00 ATOM 1747 C THR A 223 -23.428 62.502 8.821 1.00 0.00 ATOM 1748 N GLN A 224 -24.475 62.765 8.054 1.00 0.00 ATOM 1749 CA GLN A 224 -25.628 61.923 7.950 1.00 0.00 ATOM 1750 CB GLN A 224 -25.664 60.888 9.073 1.00 0.00 ATOM 1751 O GLN A 224 -27.284 63.319 6.905 1.00 0.00 ATOM 1752 C GLN A 224 -26.828 62.872 7.967 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_916978011.pdb -s /var/tmp/to_scwrl_916978011.seq -o /var/tmp/from_scwrl_916978011.pdb > /var/tmp/scwrl_916978011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916978011.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -62.723 # GDT_score(maxd=8.000,maxw=2.900)= -63.132 # GDT_score(maxd=8.000,maxw=3.200)= -60.360 # GDT_score(maxd=8.000,maxw=3.500)= -57.715 # GDT_score(maxd=10.000,maxw=3.800)= -61.100 # GDT_score(maxd=10.000,maxw=4.000)= -59.354 # GDT_score(maxd=10.000,maxw=4.200)= -57.648 # GDT_score(maxd=12.000,maxw=4.300)= -61.400 # GDT_score(maxd=12.000,maxw=4.500)= -59.692 # GDT_score(maxd=12.000,maxw=4.700)= -58.002 # GDT_score(maxd=14.000,maxw=5.200)= -57.535 # GDT_score(maxd=14.000,maxw=5.500)= -55.135 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1329333568.pdb -s /var/tmp/to_scwrl_1329333568.seq -o /var/tmp/from_scwrl_1329333568.pdb > /var/tmp/scwrl_1329333568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1329333568.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -73.103 # GDT_score(maxd=8.000,maxw=2.900)= -76.330 # GDT_score(maxd=8.000,maxw=3.200)= -72.496 # GDT_score(maxd=8.000,maxw=3.500)= -68.739 # GDT_score(maxd=10.000,maxw=3.800)= -71.587 # GDT_score(maxd=10.000,maxw=4.000)= -69.235 # GDT_score(maxd=10.000,maxw=4.200)= -66.958 # GDT_score(maxd=12.000,maxw=4.300)= -70.715 # GDT_score(maxd=12.000,maxw=4.500)= -68.500 # GDT_score(maxd=12.000,maxw=4.700)= -66.347 # GDT_score(maxd=14.000,maxw=5.200)= -64.974 # GDT_score(maxd=14.000,maxw=5.500)= -62.004 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1133960526.pdb -s /var/tmp/to_scwrl_1133960526.seq -o /var/tmp/from_scwrl_1133960526.pdb > /var/tmp/scwrl_1133960526.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1133960526.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -55.357 # GDT_score(maxd=8.000,maxw=2.900)= -56.118 # GDT_score(maxd=8.000,maxw=3.200)= -53.870 # GDT_score(maxd=8.000,maxw=3.500)= -51.596 # GDT_score(maxd=10.000,maxw=3.800)= -54.379 # GDT_score(maxd=10.000,maxw=4.000)= -52.888 # GDT_score(maxd=10.000,maxw=4.200)= -51.420 # GDT_score(maxd=12.000,maxw=4.300)= -54.830 # GDT_score(maxd=12.000,maxw=4.500)= -53.351 # GDT_score(maxd=12.000,maxw=4.700)= -51.841 # GDT_score(maxd=14.000,maxw=5.200)= -51.624 # GDT_score(maxd=14.000,maxw=5.500)= -49.472 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_341790140.pdb -s /var/tmp/to_scwrl_341790140.seq -o /var/tmp/from_scwrl_341790140.pdb > /var/tmp/scwrl_341790140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_341790140.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 0.884 # GDT_score = -66.964 # GDT_score(maxd=8.000,maxw=2.900)= -70.818 # GDT_score(maxd=8.000,maxw=3.200)= -66.982 # GDT_score(maxd=8.000,maxw=3.500)= -63.251 # GDT_score(maxd=10.000,maxw=3.800)= -65.585 # GDT_score(maxd=10.000,maxw=4.000)= -63.315 # GDT_score(maxd=10.000,maxw=4.200)= -61.101 # GDT_score(maxd=12.000,maxw=4.300)= -64.455 # GDT_score(maxd=12.000,maxw=4.500)= -62.317 # GDT_score(maxd=12.000,maxw=4.700)= -60.269 # GDT_score(maxd=14.000,maxw=5.200)= -58.883 # GDT_score(maxd=14.000,maxw=5.500)= -56.191 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1177927428.pdb -s /var/tmp/to_scwrl_1177927428.seq -o /var/tmp/from_scwrl_1177927428.pdb > /var/tmp/scwrl_1177927428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1177927428.pdb # conformation set from SCWRL output # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0303.try1-opt2.pdb looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/try1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -58.036 # GDT_score(maxd=8.000,maxw=2.900)= -58.544 # GDT_score(maxd=8.000,maxw=3.200)= -56.355 # GDT_score(maxd=8.000,maxw=3.500)= -54.017 # GDT_score(maxd=10.000,maxw=3.800)= -56.797 # GDT_score(maxd=10.000,maxw=4.000)= -55.175 # GDT_score(maxd=10.000,maxw=4.200)= -53.531 # GDT_score(maxd=12.000,maxw=4.300)= -57.032 # GDT_score(maxd=12.000,maxw=4.500)= -55.395 # GDT_score(maxd=12.000,maxw=4.700)= -53.801 # GDT_score(maxd=14.000,maxw=5.200)= -53.391 # GDT_score(maxd=14.000,maxw=5.500)= -51.091 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0303.try1-real.pdb for output Error: Couldn't open file T0303.try1-real.pdb for output superimposing iter= 0 total_weight= 2648.000 rmsd (weighted)= 7.204 (unweighted)= 11.666 superimposing iter= 1 total_weight= 9561.412 rmsd (weighted)= 2.528 (unweighted)= 11.648 superimposing iter= 2 total_weight= 5256.844 rmsd (weighted)= 1.382 (unweighted)= 11.657 superimposing iter= 3 total_weight= 2882.545 rmsd (weighted)= 1.061 (unweighted)= 11.663 superimposing iter= 4 total_weight= 2072.097 rmsd (weighted)= 0.967 (unweighted)= 11.669 superimposing iter= 5 total_weight= 1879.811 rmsd (weighted)= 0.927 (unweighted)= 11.674 EXPDTA T0303.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0303.try1-opt2.pdb ATOM 1 N MET A 1 -21.550 61.327 3.992 1.00 0.00 ATOM 2 CA MET A 1 -20.254 60.648 4.032 1.00 0.00 ATOM 3 CB MET A 1 -19.099 61.485 3.746 1.00 0.00 ATOM 4 CG MET A 1 -19.226 62.343 2.454 1.00 0.00 ATOM 5 SD MET A 1 -19.303 61.338 0.987 1.00 0.00 ATOM 6 CE MET A 1 -17.584 60.907 0.946 1.00 0.00 ATOM 7 O MET A 1 -20.124 60.370 6.420 1.00 0.00 ATOM 8 C MET A 1 -20.184 59.818 5.316 1.00 0.00 ATOM 9 N THR A 2 -20.198 58.492 5.172 1.00 0.00 ATOM 10 CA THR A 2 -20.286 57.611 6.339 1.00 0.00 ATOM 11 CB THR A 2 -21.286 56.512 6.080 1.00 0.00 ATOM 12 CG2 THR A 2 -22.700 57.033 5.790 1.00 0.00 ATOM 13 OG1 THR A 2 -20.775 55.773 5.002 1.00 0.00 ATOM 14 O THR A 2 -18.806 56.471 7.809 1.00 0.00 ATOM 15 C THR A 2 -18.920 57.032 6.724 1.00 0.00 ATOM 16 N GLN A 3 -17.945 57.187 5.917 1.00 0.00 ATOM 17 CA GLN A 3 -16.580 56.771 6.254 1.00 0.00 ATOM 18 CB GLN A 3 -15.664 56.875 5.033 1.00 0.00 ATOM 19 CG GLN A 3 -15.987 55.882 3.928 1.00 0.00 ATOM 20 CD GLN A 3 -15.098 56.054 2.711 1.00 0.00 ATOM 21 OE1 GLN A 3 -14.261 56.957 2.665 1.00 0.00 ATOM 22 NE2 GLN A 3 -15.276 55.187 1.722 1.00 0.00 ATOM 23 O GLN A 3 -14.945 57.113 7.945 1.00 0.00 ATOM 24 C GLN A 3 -15.959 57.559 7.406 1.00 0.00 ATOM 25 N PHE A 4 -16.469 58.768 7.785 1.00 0.00 ATOM 26 CA PHE A 4 -15.803 59.512 8.857 1.00 0.00 ATOM 27 CB PHE A 4 -16.347 60.947 8.816 1.00 0.00 ATOM 28 CG PHE A 4 -16.044 61.708 7.558 1.00 0.00 ATOM 29 CD1 PHE A 4 -14.782 62.148 7.269 1.00 0.00 ATOM 30 CD2 PHE A 4 -17.054 62.027 6.659 1.00 0.00 ATOM 31 CE1 PHE A 4 -14.492 62.915 6.132 1.00 0.00 ATOM 32 CE2 PHE A 4 -16.777 62.759 5.527 1.00 0.00 ATOM 33 CZ PHE A 4 -15.511 63.237 5.268 1.00 0.00 ATOM 34 O PHE A 4 -17.476 58.854 10.432 1.00 0.00 ATOM 35 C PHE A 4 -16.279 58.946 10.188 1.00 0.00 ATOM 36 N LYS A 5 -15.331 58.536 11.024 1.00 0.00 ATOM 37 CA LYS A 5 -15.635 57.981 12.337 1.00 0.00 ATOM 38 CB LYS A 5 -14.872 56.674 12.558 1.00 0.00 ATOM 39 CG LYS A 5 -15.275 55.552 11.615 1.00 0.00 ATOM 40 CD LYS A 5 -14.505 54.276 11.914 1.00 0.00 ATOM 41 CE LYS A 5 -14.890 53.162 10.954 1.00 0.00 ATOM 42 NZ LYS A 5 -14.115 51.917 11.209 1.00 0.00 ATOM 43 O LYS A 5 -15.892 58.913 14.535 1.00 0.00 ATOM 44 C LYS A 5 -15.321 58.990 13.449 1.00 0.00 ATOM 45 N LEU A 6 -14.445 59.950 13.152 1.00 0.00 ATOM 46 CA LEU A 6 -14.025 60.959 14.119 1.00 0.00 ATOM 47 CB LEU A 6 -12.587 60.708 14.522 1.00 0.00 ATOM 48 CG LEU A 6 -12.240 59.338 15.095 1.00 0.00 ATOM 49 CD1 LEU A 6 -10.770 59.407 15.549 1.00 0.00 ATOM 50 CD2 LEU A 6 -13.120 58.879 16.233 1.00 0.00 ATOM 51 O LEU A 6 -13.724 62.497 12.311 1.00 0.00 ATOM 52 C LEU A 6 -13.861 62.339 13.526 1.00 0.00 ATOM 53 N ILE A 7 -13.844 63.343 14.389 1.00 0.00 ATOM 54 CA ILE A 7 -13.704 64.716 13.943 1.00 0.00 ATOM 55 CB ILE A 7 -15.041 65.475 14.027 1.00 0.00 ATOM 56 CG1 ILE A 7 -16.090 64.809 13.135 1.00 0.00 ATOM 57 CG2 ILE A 7 -14.867 66.915 13.572 1.00 0.00 ATOM 58 CD1 ILE A 7 -17.487 65.363 13.315 1.00 0.00 ATOM 59 O ILE A 7 -12.687 65.305 16.024 1.00 0.00 ATOM 60 C ILE A 7 -12.687 65.437 14.798 1.00 0.00 ATOM 61 N GLY A 8 -11.778 66.140 14.130 1.00 0.00 ATOM 62 CA GLY A 8 -10.745 66.914 14.801 1.00 0.00 ATOM 63 O GLY A 8 -11.116 68.904 13.526 1.00 0.00 ATOM 64 C GLY A 8 -11.108 68.377 14.637 1.00 0.00 ATOM 65 N PHE A 9 -11.315 69.085 15.751 1.00 0.00 ATOM 66 CA PHE A 9 -11.682 70.493 15.719 1.00 0.00 ATOM 67 CB PHE A 9 -12.777 70.747 16.756 1.00 0.00 ATOM 68 CG PHE A 9 -14.078 70.064 16.443 1.00 0.00 ATOM 69 CD1 PHE A 9 -14.386 68.837 17.007 1.00 0.00 ATOM 70 CD2 PHE A 9 -14.994 70.647 15.586 1.00 0.00 ATOM 71 CE1 PHE A 9 -15.582 68.210 16.719 1.00 0.00 ATOM 72 CE2 PHE A 9 -16.190 70.018 15.298 1.00 0.00 ATOM 73 CZ PHE A 9 -16.487 68.805 15.860 1.00 0.00 ATOM 74 O PHE A 9 -9.805 71.315 16.948 1.00 0.00 ATOM 75 C PHE A 9 -10.653 71.548 16.101 1.00 0.00 ATOM 76 N ASP A 10 -10.727 72.697 15.396 1.00 0.00 ATOM 77 CA ASP A 10 -9.849 73.815 15.668 1.00 0.00 ATOM 78 CB ASP A 10 -9.772 74.629 14.374 1.00 0.00 ATOM 79 CG ASP A 10 -8.542 75.513 14.315 1.00 0.00 ATOM 80 OD1 ASP A 10 -7.714 75.442 15.247 1.00 0.00 ATOM 81 OD2 ASP A 10 -8.406 76.277 13.336 1.00 0.00 ATOM 82 O ASP A 10 -11.718 74.383 17.066 1.00 0.00 ATOM 83 C ASP A 10 -10.530 74.580 16.818 1.00 0.00 ATOM 84 N LEU A 11 -9.826 75.477 17.491 1.00 0.00 ATOM 85 CA LEU A 11 -10.448 76.181 18.610 1.00 0.00 ATOM 86 CB LEU A 11 -9.440 76.403 19.739 1.00 0.00 ATOM 87 CG LEU A 11 -9.953 77.160 20.965 1.00 0.00 ATOM 88 CD1 LEU A 11 -11.056 76.376 21.660 1.00 0.00 ATOM 89 CD2 LEU A 11 -8.829 77.389 21.965 1.00 0.00 ATOM 90 O LEU A 11 -12.247 77.752 18.341 1.00 0.00 ATOM 91 C LEU A 11 -11.026 77.567 18.318 1.00 0.00 ATOM 92 N ASP A 12 -10.155 78.536 18.053 1.00 0.00 ATOM 93 CA ASP A 12 -10.575 79.918 17.792 1.00 0.00 ATOM 94 CB ASP A 12 -9.404 80.880 18.000 1.00 0.00 ATOM 95 CG ASP A 12 -9.802 82.332 17.817 1.00 0.00 ATOM 96 OD1 ASP A 12 -10.969 82.586 17.454 1.00 0.00 ATOM 97 OD2 ASP A 12 -8.947 83.214 18.035 1.00 0.00 ATOM 98 O ASP A 12 -10.386 79.916 15.401 1.00 0.00 ATOM 99 C ASP A 12 -11.090 80.155 16.384 1.00 0.00 ATOM 100 N GLY A 13 -12.326 80.636 16.296 1.00 0.00 ATOM 101 CA GLY A 13 -12.933 80.899 15.004 1.00 0.00 ATOM 102 O GLY A 13 -14.656 79.935 13.673 1.00 0.00 ATOM 103 C GLY A 13 -13.782 79.748 14.510 1.00 0.00 ATOM 104 N THR A 14 -13.508 78.478 15.059 1.00 0.00 ATOM 105 CA THR A 14 -14.237 77.267 14.708 1.00 0.00 ATOM 106 CB THR A 14 -13.298 76.051 14.613 1.00 0.00 ATOM 107 CG2 THR A 14 -14.086 74.793 14.278 1.00 0.00 ATOM 108 OG1 THR A 14 -12.323 76.274 13.587 1.00 0.00 ATOM 109 O THR A 14 -16.462 76.772 15.467 1.00 0.00 ATOM 110 C THR A 14 -15.292 76.980 15.777 1.00 0.00 ATOM 111 N LEU A 15 -14.873 76.988 17.038 1.00 0.00 ATOM 112 CA LEU A 15 -15.783 76.730 18.145 1.00 0.00 ATOM 113 CB LEU A 15 -15.190 75.689 19.096 1.00 0.00 ATOM 114 CG LEU A 15 -14.959 74.293 18.516 1.00 0.00 ATOM 115 CD1 LEU A 15 -14.298 73.386 19.542 1.00 0.00 ATOM 116 CD2 LEU A 15 -16.278 73.659 18.102 1.00 0.00 ATOM 117 O LEU A 15 -17.214 78.338 19.213 1.00 0.00 ATOM 118 C LEU A 15 -16.056 77.995 18.943 1.00 0.00 ATOM 119 N VAL A 16 -14.981 78.688 19.307 1.00 0.00 ATOM 120 CA VAL A 16 -15.086 79.895 20.106 1.00 0.00 ATOM 121 CB VAL A 16 -14.170 79.788 21.408 1.00 0.00 ATOM 122 CG1 VAL A 16 -14.481 78.539 22.214 1.00 0.00 ATOM 123 CG2 VAL A 16 -12.727 79.781 20.943 1.00 0.00 ATOM 124 O VAL A 16 -14.019 81.284 18.477 1.00 0.00 ATOM 125 C VAL A 16 -14.873 81.188 19.355 1.00 0.00 ATOM 126 N ASN A 17 -15.684 82.179 19.704 1.00 0.00 ATOM 127 CA ASN A 17 -15.628 83.494 19.093 1.00 0.00 ATOM 128 CB ASN A 17 -16.993 84.180 19.173 1.00 0.00 ATOM 129 CG ASN A 17 -16.983 85.569 18.565 1.00 0.00 ATOM 130 ND2 ASN A 17 -17.989 86.367 18.899 1.00 0.00 ATOM 131 OD1 ASN A 17 -16.080 85.917 17.805 1.00 0.00 ATOM 132 O ASN A 17 -14.998 84.935 20.912 1.00 0.00 ATOM 133 C ASN A 17 -14.711 84.466 19.799 1.00 0.00 ATOM 134 N SER A 18 -13.592 84.810 19.136 1.00 0.00 ATOM 135 CA SER A 18 -12.566 85.671 19.720 1.00 0.00 ATOM 136 CB SER A 18 -11.275 85.561 18.908 1.00 0.00 ATOM 137 OG SER A 18 -11.427 86.140 17.624 1.00 0.00 ATOM 138 O SER A 18 -12.458 87.949 20.455 1.00 0.00 ATOM 139 C SER A 18 -13.114 87.093 19.853 1.00 0.00 ATOM 140 N LEU A 19 -14.451 87.436 19.292 1.00 0.00 ATOM 141 CA LEU A 19 -15.003 88.798 19.340 1.00 0.00 ATOM 142 CB LEU A 19 -16.415 89.025 18.797 1.00 0.00 ATOM 143 CG LEU A 19 -16.637 88.682 17.321 1.00 0.00 ATOM 144 CD1 LEU A 19 -18.105 88.829 16.951 1.00 0.00 ATOM 145 CD2 LEU A 19 -15.826 89.609 16.428 1.00 0.00 ATOM 146 O LEU A 19 -14.510 90.513 20.943 1.00 0.00 ATOM 147 C LEU A 19 -14.880 89.355 20.765 1.00 0.00 ATOM 148 N PRO A 20 -15.141 88.485 21.745 1.00 0.00 ATOM 149 CA PRO A 20 -15.048 88.940 23.140 1.00 0.00 ATOM 150 CB PRO A 20 -15.503 87.720 23.938 1.00 0.00 ATOM 151 CG PRO A 20 -16.476 87.062 23.014 1.00 0.00 ATOM 152 CD PRO A 20 -15.750 87.142 21.683 1.00 0.00 ATOM 153 O PRO A 20 -13.615 90.540 24.218 1.00 0.00 ATOM 154 C PRO A 20 -13.685 89.546 23.494 1.00 0.00 ATOM 155 N ASP A 21 -12.619 88.960 22.961 1.00 0.00 ATOM 156 CA ASP A 21 -11.266 89.449 23.221 1.00 0.00 ATOM 157 CB ASP A 21 -10.247 88.528 22.548 1.00 0.00 ATOM 158 CG ASP A 21 -10.097 87.200 23.268 1.00 0.00 ATOM 159 OD1 ASP A 21 -10.600 87.082 24.405 1.00 0.00 ATOM 160 OD2 ASP A 21 -9.479 86.280 22.694 1.00 0.00 ATOM 161 O ASP A 21 -10.328 91.665 23.253 1.00 0.00 ATOM 162 C ASP A 21 -11.050 90.861 22.666 1.00 0.00 ATOM 163 N LEU A 22 -11.701 91.161 21.548 1.00 0.00 ATOM 164 CA LEU A 22 -11.591 92.469 20.919 1.00 0.00 ATOM 165 CB LEU A 22 -12.468 92.537 19.669 1.00 0.00 ATOM 166 CG LEU A 22 -12.464 93.866 18.909 1.00 0.00 ATOM 167 CD1 LEU A 22 -11.069 94.189 18.397 1.00 0.00 ATOM 168 CD2 LEU A 22 -13.407 93.808 17.717 1.00 0.00 ATOM 169 O LEU A 22 -11.359 94.563 22.067 1.00 0.00 ATOM 170 C LEU A 22 -12.040 93.547 21.892 1.00 0.00 ATOM 171 N ALA A 23 -13.174 93.305 22.542 1.00 0.00 ATOM 172 CA ALA A 23 -13.718 94.263 23.484 1.00 0.00 ATOM 173 CB ALA A 23 -15.078 93.800 23.987 1.00 0.00 ATOM 174 O ALA A 23 -12.609 95.514 25.164 1.00 0.00 ATOM 175 C ALA A 23 -12.832 94.403 24.677 1.00 0.00 ATOM 176 N LEU A 24 -12.331 93.307 25.208 1.00 0.00 ATOM 177 CA LEU A 24 -11.434 93.355 26.355 1.00 0.00 ATOM 178 CB LEU A 24 -11.095 91.935 26.824 1.00 0.00 ATOM 179 CG LEU A 24 -12.255 91.134 27.430 1.00 0.00 ATOM 180 CD1 LEU A 24 -11.832 89.684 27.662 1.00 0.00 ATOM 181 CD2 LEU A 24 -12.712 91.786 28.728 1.00 0.00 ATOM 182 O LEU A 24 -9.648 94.879 26.869 1.00 0.00 ATOM 183 C LEU A 24 -10.181 94.159 26.021 1.00 0.00 ATOM 184 N SER A 25 -9.698 94.051 24.757 1.00 0.00 ATOM 185 CA SER A 25 -8.517 94.791 24.322 1.00 0.00 ATOM 186 CB SER A 25 -8.108 94.345 22.917 1.00 0.00 ATOM 187 OG SER A 25 -7.756 92.971 22.901 1.00 0.00 ATOM 188 O SER A 25 -7.936 97.090 24.742 1.00 0.00 ATOM 189 C SER A 25 -8.770 96.298 24.307 1.00 0.00 ATOM 190 N ILE A 26 -9.930 96.678 23.785 1.00 0.00 ATOM 191 CA ILE A 26 -10.337 98.070 23.691 1.00 0.00 ATOM 192 CB ILE A 26 -11.684 98.215 22.961 1.00 0.00 ATOM 193 CG1 ILE A 26 -11.919 99.672 22.558 1.00 0.00 ATOM 194 CG2 ILE A 26 -12.829 97.775 23.862 1.00 0.00 ATOM 195 CD1 ILE A 26 -13.065 99.862 21.587 1.00 0.00 ATOM 196 O ILE A 26 -10.245 99.895 25.242 1.00 0.00 ATOM 197 C ILE A 26 -10.473 98.700 25.071 1.00 0.00 ATOM 198 N ASN A 27 -10.874 97.902 26.046 1.00 0.00 ATOM 199 CA ASN A 27 -11.016 98.403 27.399 1.00 0.00 ATOM 200 CB ASN A 27 -11.710 97.364 28.282 1.00 0.00 ATOM 201 CG ASN A 27 -13.184 97.215 27.959 1.00 0.00 ATOM 202 ND2 ASN A 27 -13.760 96.082 28.343 1.00 0.00 ATOM 203 OD1 ASN A 27 -13.793 98.109 27.371 1.00 0.00 ATOM 204 O ASN A 27 -9.395 99.838 28.485 1.00 0.00 ATOM 205 C ASN A 27 -9.609 98.769 27.856 1.00 0.00 ATOM 206 N SER A 28 -8.673 97.876 27.594 1.00 0.00 ATOM 207 CA SER A 28 -7.280 98.113 28.016 1.00 0.00 ATOM 208 CB SER A 28 -6.451 96.860 27.728 1.00 0.00 ATOM 209 OG SER A 28 -6.938 95.747 28.456 1.00 0.00 ATOM 210 O SER A 28 -5.889 100.053 27.952 1.00 0.00 ATOM 211 C SER A 28 -6.610 99.287 27.319 1.00 0.00 ATOM 212 N ALA A 29 -6.823 99.392 26.009 1.00 0.00 ATOM 213 CA ALA A 29 -6.262 100.466 25.196 1.00 0.00 ATOM 214 CB ALA A 29 -5.169 99.934 24.282 1.00 0.00 ATOM 215 O ALA A 29 -7.648 100.602 23.242 1.00 0.00 ATOM 216 C ALA A 29 -7.422 101.023 24.377 1.00 0.00 ATOM 217 N LEU A 30 -8.176 101.981 24.949 1.00 0.00 ATOM 218 CA LEU A 30 -9.337 102.634 24.334 1.00 0.00 ATOM 219 CB LEU A 30 -9.773 103.843 25.164 1.00 0.00 ATOM 220 CG LEU A 30 -11.045 104.558 24.704 1.00 0.00 ATOM 221 CD1 LEU A 30 -12.253 103.642 24.837 1.00 0.00 ATOM 222 CD2 LEU A 30 -11.296 105.801 25.543 1.00 0.00 ATOM 223 O LEU A 30 -8.184 103.933 22.672 1.00 0.00 ATOM 224 C LEU A 30 -9.110 103.155 22.918 1.00 0.00 ATOM 225 N LYS A 31 -9.839 102.712 21.689 1.00 0.00 ATOM 226 CA LYS A 31 -9.671 103.190 20.330 1.00 0.00 ATOM 227 CB LYS A 31 -9.099 104.609 20.327 1.00 0.00 ATOM 228 CG LYS A 31 -10.033 105.657 20.910 1.00 0.00 ATOM 229 CD LYS A 31 -9.407 107.041 20.868 1.00 0.00 ATOM 230 CE LYS A 31 -10.346 108.090 21.439 1.00 0.00 ATOM 231 NZ LYS A 31 -9.750 109.454 21.391 1.00 0.00 ATOM 232 O LYS A 31 -8.789 102.476 18.227 1.00 0.00 ATOM 233 C LYS A 31 -8.737 102.365 19.456 1.00 0.00 ATOM 234 N ASP A 32 -7.869 101.568 20.080 1.00 0.00 ATOM 235 CA ASP A 32 -6.886 100.736 19.367 1.00 0.00 ATOM 236 CB ASP A 32 -5.524 100.890 20.058 1.00 0.00 ATOM 237 CG ASP A 32 -5.025 102.300 20.022 1.00 0.00 ATOM 238 OD1 ASP A 32 -4.981 102.850 18.899 1.00 0.00 ATOM 239 OD2 ASP A 32 -4.671 102.930 21.041 1.00 0.00 ATOM 240 O ASP A 32 -6.416 98.471 18.779 1.00 0.00 ATOM 241 C ASP A 32 -7.232 99.260 19.245 1.00 0.00 ATOM 242 N VAL A 33 -8.436 98.812 19.853 1.00 0.00 ATOM 243 CA VAL A 33 -8.698 97.393 20.051 1.00 0.00 ATOM 244 CB VAL A 33 -10.074 97.142 20.633 1.00 0.00 ATOM 245 CG1 VAL A 33 -11.216 97.604 19.680 1.00 0.00 ATOM 246 CG2 VAL A 33 -10.228 95.683 21.037 1.00 0.00 ATOM 247 O VAL A 33 -7.984 95.532 18.736 1.00 0.00 ATOM 248 C VAL A 33 -8.587 96.608 18.751 1.00 0.00 ATOM 249 N ASN A 34 -9.166 97.121 17.668 1.00 0.00 ATOM 250 CA ASN A 34 -9.125 96.430 16.379 1.00 0.00 ATOM 251 CB ASN A 34 -9.912 97.214 15.327 1.00 0.00 ATOM 252 CG ASN A 34 -10.027 96.470 14.011 1.00 0.00 ATOM 253 ND2 ASN A 34 -9.453 97.041 12.958 1.00 0.00 ATOM 254 OD1 ASN A 34 -10.624 95.396 13.944 1.00 0.00 ATOM 255 O ASN A 34 -7.291 95.134 15.488 1.00 0.00 ATOM 256 C ASN A 34 -7.676 96.218 15.931 1.00 0.00 ATOM 257 N LEU A 35 -6.859 97.285 16.054 1.00 0.00 ATOM 258 CA LEU A 35 -5.461 97.240 15.655 1.00 0.00 ATOM 259 CB LEU A 35 -4.798 98.596 15.899 1.00 0.00 ATOM 260 CG LEU A 35 -5.275 99.753 15.018 1.00 0.00 ATOM 261 CD1 LEU A 35 -4.677 101.069 15.490 1.00 0.00 ATOM 262 CD2 LEU A 35 -4.861 99.534 13.572 1.00 0.00 ATOM 263 O LEU A 35 -3.979 95.360 15.814 1.00 0.00 ATOM 264 C LEU A 35 -4.671 96.185 16.411 1.00 0.00 ATOM 265 N PRO A 36 -4.761 96.243 17.734 1.00 0.00 ATOM 266 CA PRO A 36 -4.059 95.314 18.603 1.00 0.00 ATOM 267 CB PRO A 36 -4.480 95.636 19.994 1.00 0.00 ATOM 268 CG PRO A 36 -4.830 97.106 19.918 1.00 0.00 ATOM 269 CD PRO A 36 -5.591 97.168 18.616 1.00 0.00 ATOM 270 O PRO A 36 -3.513 93.061 18.028 1.00 0.00 ATOM 271 C PRO A 36 -4.400 93.865 18.296 1.00 0.00 ATOM 272 N GLN A 37 -5.767 93.482 18.348 1.00 0.00 ATOM 273 CA GLN A 37 -6.185 92.116 18.075 1.00 0.00 ATOM 274 CB GLN A 37 -7.731 92.016 18.271 1.00 0.00 ATOM 275 CG GLN A 37 -8.249 90.587 18.145 1.00 0.00 ATOM 276 CD GLN A 37 -9.755 90.472 18.329 1.00 0.00 ATOM 277 OE1 GLN A 37 -10.537 90.853 17.456 1.00 0.00 ATOM 278 NE2 GLN A 37 -10.168 89.939 19.475 1.00 0.00 ATOM 279 O GLN A 37 -5.436 90.491 16.516 1.00 0.00 ATOM 280 C GLN A 37 -5.805 91.642 16.687 1.00 0.00 ATOM 281 N ALA A 38 -5.844 92.537 15.710 1.00 0.00 ATOM 282 CA ALA A 38 -5.504 92.183 14.334 1.00 0.00 ATOM 283 CB ALA A 38 -5.713 93.374 13.413 1.00 0.00 ATOM 284 O ALA A 38 -3.717 90.790 13.546 1.00 0.00 ATOM 285 C ALA A 38 -4.041 91.790 14.184 1.00 0.00 ATOM 286 N SER A 39 -3.134 92.565 14.733 1.00 0.00 ATOM 287 CA SER A 39 -1.701 92.295 14.653 1.00 0.00 ATOM 288 CB SER A 39 -0.916 93.539 15.075 1.00 0.00 ATOM 289 OG SER A 39 -1.101 94.597 14.151 1.00 0.00 ATOM 290 O SER A 39 -0.442 90.353 15.271 1.00 0.00 ATOM 291 C SER A 39 -1.296 91.168 15.596 1.00 0.00 ATOM 292 N GLU A 40 -1.938 91.103 16.789 1.00 0.00 ATOM 293 CA GLU A 40 -1.622 90.069 17.761 1.00 0.00 ATOM 294 CB GLU A 40 -2.512 90.259 18.992 1.00 0.00 ATOM 295 CG GLU A 40 -2.225 89.284 20.121 1.00 0.00 ATOM 296 CD GLU A 40 -3.085 89.539 21.344 1.00 0.00 ATOM 297 OE1 GLU A 40 -3.892 90.492 21.314 1.00 0.00 ATOM 298 OE2 GLU A 40 -2.953 88.785 22.331 1.00 0.00 ATOM 299 O GLU A 40 -1.120 87.739 17.543 1.00 0.00 ATOM 300 C GLU A 40 -1.897 88.654 17.267 1.00 0.00 ATOM 301 N ASN A 41 -2.965 88.475 16.497 1.00 0.00 ATOM 302 CA ASN A 41 -3.299 87.151 15.976 1.00 0.00 ATOM 303 CB ASN A 41 -4.713 87.206 15.397 1.00 0.00 ATOM 304 CG ASN A 41 -5.781 87.267 16.470 1.00 0.00 ATOM 305 ND2 ASN A 41 -6.965 87.742 16.099 1.00 0.00 ATOM 306 OD1 ASN A 41 -5.544 86.893 17.618 1.00 0.00 ATOM 307 O ASN A 41 -2.061 85.518 14.744 1.00 0.00 ATOM 308 C ASN A 41 -2.364 86.702 14.858 1.00 0.00 ATOM 309 N LEU A 42 -1.931 87.643 14.028 1.00 0.00 ATOM 310 CA LEU A 42 -1.029 87.346 12.923 1.00 0.00 ATOM 311 CB LEU A 42 -0.886 88.563 12.005 1.00 0.00 ATOM 312 CG LEU A 42 -2.123 88.946 11.190 1.00 0.00 ATOM 313 CD1 LEU A 42 -1.903 90.266 10.466 1.00 0.00 ATOM 314 CD2 LEU A 42 -2.433 87.879 10.151 1.00 0.00 ATOM 315 O LEU A 42 0.989 86.055 12.938 1.00 0.00 ATOM 316 C LEU A 42 0.352 86.975 13.450 1.00 0.00 ATOM 317 N VAL A 43 0.818 87.698 14.466 1.00 0.00 ATOM 318 CA VAL A 43 2.117 87.426 15.059 1.00 0.00 ATOM 319 CB VAL A 43 2.487 88.481 16.117 1.00 0.00 ATOM 320 CG1 VAL A 43 3.753 88.075 16.855 1.00 0.00 ATOM 321 CG2 VAL A 43 2.726 89.833 15.461 1.00 0.00 ATOM 322 O VAL A 43 3.075 85.299 15.620 1.00 0.00 ATOM 323 C VAL A 43 2.102 86.053 15.719 1.00 0.00 ATOM 324 N MET A 44 0.976 85.684 16.352 1.00 0.00 ATOM 325 CA MET A 44 0.848 84.363 16.967 1.00 0.00 ATOM 326 CB MET A 44 -0.824 84.170 17.094 1.00 0.00 ATOM 327 CG MET A 44 -1.453 83.295 18.198 1.00 0.00 ATOM 328 SD MET A 44 -3.238 83.314 17.861 1.00 0.00 ATOM 329 CE MET A 44 -3.696 84.756 18.829 1.00 0.00 ATOM 330 O MET A 44 1.742 82.288 16.142 1.00 0.00 ATOM 331 C MET A 44 1.055 83.276 15.907 1.00 0.00 ATOM 332 N THR A 45 0.434 83.462 14.745 1.00 0.00 ATOM 333 CA THR A 45 0.555 82.520 13.639 1.00 0.00 ATOM 334 CB THR A 45 -0.323 82.935 12.444 1.00 0.00 ATOM 335 CG2 THR A 45 -0.157 81.954 11.294 1.00 0.00 ATOM 336 OG1 THR A 45 -1.699 82.955 12.843 1.00 0.00 ATOM 337 O THR A 45 2.532 81.424 12.854 1.00 0.00 ATOM 338 C THR A 45 1.965 82.495 13.067 1.00 0.00 ATOM 339 N TRP A 46 2.527 83.636 12.813 1.00 0.00 ATOM 340 CA TRP A 46 3.872 83.741 12.248 1.00 0.00 ATOM 341 CB TRP A 46 4.246 85.214 12.072 1.00 0.00 ATOM 342 CG TRP A 46 5.633 85.422 11.547 1.00 0.00 ATOM 343 CD1 TRP A 46 6.727 85.827 12.256 1.00 0.00 ATOM 344 CD2 TRP A 46 6.077 85.234 10.197 1.00 0.00 ATOM 345 CE2 TRP A 46 7.450 85.545 10.163 1.00 0.00 ATOM 346 CE3 TRP A 46 5.447 84.835 9.015 1.00 0.00 ATOM 347 NE1 TRP A 46 7.825 85.904 11.434 1.00 0.00 ATOM 348 CZ2 TRP A 46 8.205 85.468 8.993 1.00 0.00 ATOM 349 CZ3 TRP A 46 6.199 84.760 7.857 1.00 0.00 ATOM 350 CH2 TRP A 46 7.562 85.074 7.851 1.00 0.00 ATOM 351 O TRP A 46 5.780 82.405 12.727 1.00 0.00 ATOM 352 C TRP A 46 4.906 83.138 13.175 1.00 0.00 ATOM 353 N ILE A 47 4.808 83.431 14.463 1.00 0.00 ATOM 354 CA ILE A 47 5.767 82.908 15.421 1.00 0.00 ATOM 355 CB ILE A 47 5.506 83.454 16.837 1.00 0.00 ATOM 356 CG1 ILE A 47 5.801 84.955 16.891 1.00 0.00 ATOM 357 CG2 ILE A 47 6.396 82.753 17.852 1.00 0.00 ATOM 358 CD1 ILE A 47 5.322 85.625 18.162 1.00 0.00 ATOM 359 O ILE A 47 6.842 80.755 15.350 1.00 0.00 ATOM 360 C ILE A 47 5.781 81.379 15.414 1.00 0.00 ATOM 361 N GLY A 48 4.593 80.772 15.485 1.00 0.00 ATOM 362 CA GLY A 48 4.504 79.323 15.484 1.00 0.00 ATOM 363 O GLY A 48 5.928 77.767 14.341 1.00 0.00 ATOM 364 C GLY A 48 5.149 78.712 14.241 1.00 0.00 ATOM 365 N ASN A 49 4.874 79.305 13.083 1.00 0.00 ATOM 366 CA ASN A 49 5.431 78.837 11.817 1.00 0.00 ATOM 367 CB ASN A 49 4.830 79.617 10.646 1.00 0.00 ATOM 368 CG ASN A 49 3.394 79.226 10.361 1.00 0.00 ATOM 369 ND2 ASN A 49 2.673 80.093 9.659 1.00 0.00 ATOM 370 OD1 ASN A 49 2.938 78.158 10.770 1.00 0.00 ATOM 371 O ASN A 49 7.690 78.074 11.512 1.00 0.00 ATOM 372 C ASN A 49 6.948 79.022 11.772 1.00 0.00 ATOM 373 N GLY A 50 7.387 80.254 12.019 1.00 0.00 ATOM 374 CA GLY A 50 8.802 80.622 11.990 1.00 0.00 ATOM 375 O GLY A 50 10.802 79.502 12.646 1.00 0.00 ATOM 376 C GLY A 50 9.677 79.865 12.978 1.00 0.00 ATOM 377 N ALA A 51 9.172 79.632 14.186 1.00 0.00 ATOM 378 CA ALA A 51 9.931 78.880 15.179 1.00 0.00 ATOM 379 CB ALA A 51 9.256 78.967 16.539 1.00 0.00 ATOM 380 O ALA A 51 11.025 76.749 15.005 1.00 0.00 ATOM 381 C ALA A 51 10.027 77.407 14.765 1.00 0.00 ATOM 382 N ASP A 52 8.955 76.892 14.159 1.00 0.00 ATOM 383 CA ASP A 52 8.945 75.507 13.684 1.00 0.00 ATOM 384 CB ASP A 52 7.618 75.158 13.062 1.00 0.00 ATOM 385 CG ASP A 52 6.510 75.095 14.092 1.00 0.00 ATOM 386 OD1 ASP A 52 5.349 75.332 13.712 1.00 0.00 ATOM 387 OD2 ASP A 52 6.804 74.798 15.269 1.00 0.00 ATOM 388 O ASP A 52 10.765 74.332 12.665 1.00 0.00 ATOM 389 C ASP A 52 10.018 75.308 12.620 1.00 0.00 ATOM 390 N VAL A 53 10.097 76.240 11.673 1.00 0.00 ATOM 391 CA VAL A 53 11.094 76.183 10.602 1.00 0.00 ATOM 392 CB VAL A 53 10.880 77.308 9.573 1.00 0.00 ATOM 393 CG1 VAL A 53 12.016 77.330 8.563 1.00 0.00 ATOM 394 CG2 VAL A 53 9.572 77.104 8.823 1.00 0.00 ATOM 395 O VAL A 53 13.446 75.714 10.534 1.00 0.00 ATOM 396 C VAL A 53 12.532 76.313 11.100 1.00 0.00 ATOM 397 N LEU A 54 12.728 77.109 12.147 1.00 0.00 ATOM 398 CA LEU A 54 14.046 77.318 12.730 1.00 0.00 ATOM 399 CB LEU A 54 14.099 78.659 13.467 1.00 0.00 ATOM 400 CG LEU A 54 13.919 79.911 12.607 1.00 0.00 ATOM 401 CD1 LEU A 54 13.885 81.160 13.475 1.00 0.00 ATOM 402 CD2 LEU A 54 15.064 80.053 11.615 1.00 0.00 ATOM 403 O LEU A 54 15.550 76.199 14.201 1.00 0.00 ATOM 404 C LEU A 54 14.414 76.235 13.730 1.00 0.00 ATOM 405 N SER A 55 13.436 75.411 14.114 1.00 0.00 ATOM 406 CA SER A 55 13.655 74.337 15.080 1.00 0.00 ATOM 407 CB SER A 55 14.873 73.499 14.682 1.00 0.00 ATOM 408 OG SER A 55 14.696 72.917 13.403 1.00 0.00 ATOM 409 O SER A 55 14.774 74.526 17.214 1.00 0.00 ATOM 410 C SER A 55 13.897 74.960 16.467 1.00 0.00 ATOM 411 N GLN A 56 13.107 75.983 16.796 1.00 0.00 ATOM 412 CA GLN A 56 13.207 76.707 18.071 1.00 0.00 ATOM 413 CB GLN A 56 13.738 78.123 17.842 1.00 0.00 ATOM 414 CG GLN A 56 15.154 78.174 17.294 1.00 0.00 ATOM 415 CD GLN A 56 16.183 77.673 18.291 1.00 0.00 ATOM 416 OE1 GLN A 56 16.041 77.875 19.496 1.00 0.00 ATOM 417 NE2 GLN A 56 17.222 77.018 17.787 1.00 0.00 ATOM 418 O GLN A 56 11.332 77.927 18.967 1.00 0.00 ATOM 419 C GLN A 56 11.847 76.829 18.772 1.00 0.00 ATOM 420 N ARG A 57 11.293 75.696 19.184 1.00 0.00 ATOM 421 CA ARG A 57 9.997 75.645 19.855 1.00 0.00 ATOM 422 CB ARG A 57 9.147 74.682 19.857 1.00 0.00 ATOM 423 CG ARG A 57 8.094 74.781 20.950 1.00 0.00 ATOM 424 CD ARG A 57 6.897 73.926 20.599 1.00 0.00 ATOM 425 NE ARG A 57 5.813 74.043 21.571 1.00 0.00 ATOM 426 CZ ARG A 57 4.526 74.014 21.244 1.00 0.00 ATOM 427 NH1 ARG A 57 4.171 73.877 19.972 1.00 0.00 ATOM 428 NH2 ARG A 57 3.595 74.120 22.183 1.00 0.00 ATOM 429 O ARG A 57 10.897 76.263 22.008 1.00 0.00 ATOM 430 C ARG A 57 9.920 76.249 21.260 1.00 0.00 ATOM 431 N ALA A 58 8.733 76.759 21.586 1.00 0.00 ATOM 432 CA ALA A 58 8.373 77.303 22.897 1.00 0.00 ATOM 433 CB ALA A 58 8.741 78.777 22.980 1.00 0.00 ATOM 434 O ALA A 58 6.256 76.988 21.842 1.00 0.00 ATOM 435 C ALA A 58 6.871 77.059 22.907 1.00 0.00 ATOM 436 N VAL A 59 6.288 76.832 24.078 1.00 0.00 ATOM 437 CA VAL A 59 4.851 76.573 24.142 1.00 0.00 ATOM 438 CB VAL A 59 4.404 76.232 25.576 1.00 0.00 ATOM 439 CG1 VAL A 59 5.105 74.974 26.069 1.00 0.00 ATOM 440 CG2 VAL A 59 4.741 77.373 26.524 1.00 0.00 ATOM 441 O VAL A 59 4.544 78.901 23.652 1.00 0.00 ATOM 442 C VAL A 59 4.041 77.773 23.677 1.00 0.00 ATOM 443 N ASP A 60 2.774 77.495 23.108 1.00 0.00 ATOM 444 CA ASP A 60 1.891 78.539 22.608 1.00 0.00 ATOM 445 CB ASP A 60 0.508 77.966 22.293 1.00 0.00 ATOM 446 CG ASP A 60 -0.370 78.945 21.539 1.00 0.00 ATOM 447 OD1 ASP A 60 0.013 79.345 20.419 1.00 0.00 ATOM 448 OD2 ASP A 60 -1.441 79.312 22.067 1.00 0.00 ATOM 449 O ASP A 60 1.482 80.830 23.139 1.00 0.00 ATOM 450 C ASP A 60 1.667 79.695 23.567 1.00 0.00 ATOM 451 N TRP A 61 1.671 79.416 24.863 1.00 0.00 ATOM 452 CA TRP A 61 1.476 80.463 25.856 1.00 0.00 ATOM 453 CB TRP A 61 1.520 79.932 27.257 1.00 0.00 ATOM 454 CG TRP A 61 1.173 80.905 28.352 1.00 0.00 ATOM 455 CD1 TRP A 61 -0.021 81.061 28.976 1.00 0.00 ATOM 456 CD2 TRP A 61 2.061 81.865 28.963 1.00 0.00 ATOM 457 CE2 TRP A 61 1.323 82.562 29.938 1.00 0.00 ATOM 458 CE3 TRP A 61 3.408 82.207 28.775 1.00 0.00 ATOM 459 NE1 TRP A 61 0.054 82.060 29.929 1.00 0.00 ATOM 460 CZ2 TRP A 61 1.888 83.572 30.723 1.00 0.00 ATOM 461 CZ3 TRP A 61 3.977 83.211 29.551 1.00 0.00 ATOM 462 CH2 TRP A 61 3.205 83.885 30.514 1.00 0.00 ATOM 463 O TRP A 61 2.278 82.712 25.555 1.00 0.00 ATOM 464 C TRP A 61 2.565 81.524 25.697 1.00 0.00 ATOM 465 N ALA A 62 3.813 81.071 25.648 1.00 0.00 ATOM 466 CA ALA A 62 4.953 81.958 25.488 1.00 0.00 ATOM 467 CB ALA A 62 6.248 81.161 25.481 1.00 0.00 ATOM 468 O ALA A 62 5.121 83.875 24.044 1.00 0.00 ATOM 469 C ALA A 62 4.857 82.681 24.137 1.00 0.00 ATOM 470 N CYS A 63 4.463 81.939 23.106 1.00 0.00 ATOM 471 CA CYS A 63 4.316 82.516 21.776 1.00 0.00 ATOM 472 CB CYS A 63 3.930 81.417 20.786 1.00 0.00 ATOM 473 SG CYS A 63 5.237 80.212 20.458 1.00 0.00 ATOM 474 O CYS A 63 3.453 84.690 21.185 1.00 0.00 ATOM 475 C CYS A 63 3.265 83.634 21.798 1.00 0.00 ATOM 476 N THR A 64 2.168 83.409 22.514 1.00 0.00 ATOM 477 CA THR A 64 1.104 84.402 22.643 1.00 0.00 ATOM 478 CB THR A 64 -0.090 83.829 23.431 1.00 0.00 ATOM 479 CG2 THR A 64 -1.210 84.855 23.520 1.00 0.00 ATOM 480 OG1 THR A 64 -0.585 82.658 22.771 1.00 0.00 ATOM 481 O THR A 64 1.277 86.797 22.879 1.00 0.00 ATOM 482 C THR A 64 1.566 85.691 23.342 1.00 0.00 ATOM 483 N GLN A 65 2.313 85.545 24.433 1.00 0.00 ATOM 484 CA GLN A 65 2.819 86.699 25.165 1.00 0.00 ATOM 485 CB GLN A 65 4.048 85.999 26.060 1.00 0.00 ATOM 486 CG GLN A 65 4.740 86.824 27.110 1.00 0.00 ATOM 487 CD GLN A 65 5.845 86.060 27.803 1.00 0.00 ATOM 488 OE1 GLN A 65 6.754 85.520 27.157 1.00 0.00 ATOM 489 NE2 GLN A 65 5.776 86.008 29.135 1.00 0.00 ATOM 490 O GLN A 65 3.751 88.741 24.269 1.00 0.00 ATOM 491 C GLN A 65 3.804 87.511 24.306 1.00 0.00 ATOM 492 N ALA A 66 4.702 86.798 23.613 1.00 0.00 ATOM 493 CA ALA A 66 5.686 87.451 22.749 1.00 0.00 ATOM 494 CB ALA A 66 6.573 86.400 22.098 1.00 0.00 ATOM 495 O ALA A 66 5.404 89.346 21.283 1.00 0.00 ATOM 496 C ALA A 66 5.012 88.217 21.615 1.00 0.00 ATOM 497 N GLU A 67 4.005 87.598 21.035 1.00 0.00 ATOM 498 CA GLU A 67 3.228 88.241 19.976 1.00 0.00 ATOM 499 CB GLU A 67 2.162 87.274 19.455 1.00 0.00 ATOM 500 CG GLU A 67 1.074 86.948 20.466 1.00 0.00 ATOM 501 CD GLU A 67 0.112 85.890 19.964 1.00 0.00 ATOM 502 OE1 GLU A 67 -0.505 86.106 18.898 1.00 0.00 ATOM 503 OE2 GLU A 67 -0.028 84.846 20.634 1.00 0.00 ATOM 504 O GLU A 67 2.572 90.557 19.815 1.00 0.00 ATOM 505 C GLU A 67 2.577 89.533 20.515 1.00 0.00 ATOM 506 N LYS A 68 2.035 89.516 21.726 1.00 0.00 ATOM 507 CA LYS A 68 1.429 90.720 22.303 1.00 0.00 ATOM 508 CB LYS A 68 0.672 90.356 23.588 1.00 0.00 ATOM 509 CG LYS A 68 -0.195 91.467 24.180 1.00 0.00 ATOM 510 CD LYS A 68 -1.046 90.924 25.333 1.00 0.00 ATOM 511 CE LYS A 68 -1.897 92.014 25.990 1.00 0.00 ATOM 512 NZ LYS A 68 -2.659 91.462 27.172 1.00 0.00 ATOM 513 O LYS A 68 2.219 92.976 22.248 1.00 0.00 ATOM 514 C LYS A 68 2.450 91.819 22.567 1.00 0.00 ATOM 515 N GLU A 69 3.579 91.437 23.156 1.00 0.00 ATOM 516 CA GLU A 69 4.682 92.344 23.466 1.00 0.00 ATOM 517 CB GLU A 69 5.879 91.563 24.014 1.00 0.00 ATOM 518 CG GLU A 69 7.068 92.431 24.389 1.00 0.00 ATOM 519 CD GLU A 69 8.218 91.630 24.966 1.00 0.00 ATOM 520 OE1 GLU A 69 8.071 90.396 25.104 1.00 0.00 ATOM 521 OE2 GLU A 69 9.264 92.233 25.280 1.00 0.00 ATOM 522 O GLU A 69 5.279 94.309 22.211 1.00 0.00 ATOM 523 C GLU A 69 5.111 93.088 22.200 1.00 0.00 ATOM 524 N LEU A 70 5.277 92.352 21.089 1.00 0.00 ATOM 525 CA LEU A 70 5.687 92.965 19.829 1.00 0.00 ATOM 526 CB LEU A 70 5.972 91.952 18.773 1.00 0.00 ATOM 527 CG LEU A 70 7.263 91.147 18.976 1.00 0.00 ATOM 528 CD1 LEU A 70 7.286 89.954 18.033 1.00 0.00 ATOM 529 CD2 LEU A 70 8.455 92.046 18.733 1.00 0.00 ATOM 530 O LEU A 70 4.864 94.929 18.728 1.00 0.00 ATOM 531 C LEU A 70 4.588 93.870 19.294 1.00 0.00 ATOM 532 N THR A 71 3.320 93.465 19.485 1.00 0.00 ATOM 533 CA THR A 71 2.177 94.227 19.008 1.00 0.00 ATOM 534 CB THR A 71 0.860 93.506 19.351 1.00 0.00 ATOM 535 CG2 THR A 71 -0.333 94.335 18.906 1.00 0.00 ATOM 536 OG1 THR A 71 0.820 92.238 18.684 1.00 0.00 ATOM 537 O THR A 71 1.914 96.615 18.995 1.00 0.00 ATOM 538 C THR A 71 2.066 95.599 19.673 1.00 0.00 ATOM 539 N GLU A 72 2.147 95.690 21.065 1.00 0.00 ATOM 540 CA GLU A 72 2.044 96.940 21.805 1.00 0.00 ATOM 541 CB GLU A 72 2.019 96.710 23.300 1.00 0.00 ATOM 542 CG GLU A 72 3.266 96.078 23.867 1.00 0.00 ATOM 543 CD GLU A 72 3.054 95.506 25.261 1.00 0.00 ATOM 544 OE1 GLU A 72 1.942 95.151 25.668 1.00 0.00 ATOM 545 OE2 GLU A 72 4.036 95.394 25.980 1.00 0.00 ATOM 546 O GLU A 72 3.088 99.062 21.381 1.00 0.00 ATOM 547 C GLU A 72 3.242 97.848 21.549 1.00 0.00 ATOM 548 N ASP A 73 4.429 97.254 21.491 1.00 0.00 ATOM 549 CA ASP A 73 5.646 98.015 21.254 1.00 0.00 ATOM 550 CB ASP A 73 6.867 97.093 21.278 1.00 0.00 ATOM 551 CG ASP A 73 7.213 96.619 22.675 1.00 0.00 ATOM 552 OD1 ASP A 73 6.666 97.182 23.646 1.00 0.00 ATOM 553 OD2 ASP A 73 8.032 95.685 22.799 1.00 0.00 ATOM 554 O ASP A 73 6.002 99.850 19.734 1.00 0.00 ATOM 555 C ASP A 73 5.578 98.705 19.887 1.00 0.00 ATOM 556 N GLU A 74 5.000 98.009 18.914 1.00 0.00 ATOM 557 CA GLU A 74 4.830 98.516 17.561 1.00 0.00 ATOM 558 CB GLU A 74 4.676 97.236 16.632 1.00 0.00 ATOM 559 CG GLU A 74 4.648 97.512 15.134 1.00 0.00 ATOM 560 CD GLU A 74 5.839 98.329 14.669 1.00 0.00 ATOM 561 OE1 GLU A 74 6.955 98.108 15.184 1.00 0.00 ATOM 562 OE2 GLU A 74 5.656 99.187 13.779 1.00 0.00 ATOM 563 O GLU A 74 3.947 100.533 16.667 1.00 0.00 ATOM 564 C GLU A 74 3.820 99.628 17.505 1.00 0.00 ATOM 565 N PHE A 75 2.790 99.573 18.381 1.00 0.00 ATOM 566 CA PHE A 75 1.739 100.587 18.413 1.00 0.00 ATOM 567 CB PHE A 75 0.424 99.972 18.895 1.00 0.00 ATOM 568 CG PHE A 75 -0.112 98.900 17.989 1.00 0.00 ATOM 569 CD1 PHE A 75 0.262 98.848 16.658 1.00 0.00 ATOM 570 CD2 PHE A 75 -0.988 97.943 18.470 1.00 0.00 ATOM 571 CE1 PHE A 75 -0.231 97.861 15.825 1.00 0.00 ATOM 572 CE2 PHE A 75 -1.481 96.955 17.637 1.00 0.00 ATOM 573 CZ PHE A 75 -1.106 96.913 16.320 1.00 0.00 ATOM 574 O PHE A 75 1.286 102.771 19.316 1.00 0.00 ATOM 575 C PHE A 75 2.023 101.781 19.328 1.00 0.00 ATOM 576 N LYS A 76 3.078 101.680 20.129 1.00 0.00 ATOM 577 CA LYS A 76 3.413 102.759 21.040 1.00 0.00 ATOM 578 CB LYS A 76 3.074 104.113 20.415 1.00 0.00 ATOM 579 CG LYS A 76 3.895 104.450 19.181 1.00 0.00 ATOM 580 CD LYS A 76 3.585 105.849 18.677 1.00 0.00 ATOM 581 CE LYS A 76 4.376 106.171 17.419 1.00 0.00 ATOM 582 NZ LYS A 76 4.077 107.537 16.909 1.00 0.00 ATOM 583 O LYS A 76 2.497 103.594 23.088 1.00 0.00 ATOM 584 C LYS A 76 2.640 102.627 22.336 1.00 0.00 ATOM 585 N TYR A 77 2.184 101.351 22.686 1.00 0.00 ATOM 586 CA TYR A 77 1.427 101.120 23.910 1.00 0.00 ATOM 587 CB TYR A 77 0.303 100.111 23.663 1.00 0.00 ATOM 588 CG TYR A 77 -0.489 99.763 24.901 1.00 0.00 ATOM 589 CD1 TYR A 77 -1.475 100.616 25.379 1.00 0.00 ATOM 590 CD2 TYR A 77 -0.250 98.579 25.588 1.00 0.00 ATOM 591 CE1 TYR A 77 -2.205 100.305 26.510 1.00 0.00 ATOM 592 CE2 TYR A 77 -0.970 98.251 26.721 1.00 0.00 ATOM 593 CZ TYR A 77 -1.954 99.127 27.180 1.00 0.00 ATOM 594 OH TYR A 77 -2.678 98.816 28.306 1.00 0.00 ATOM 595 O TYR A 77 3.208 99.751 24.735 1.00 0.00 ATOM 596 C TYR A 77 2.329 100.574 24.998 1.00 0.00 ATOM 597 N PHE A 78 2.099 101.029 26.223 1.00 0.00 ATOM 598 CA PHE A 78 2.888 100.599 27.369 1.00 0.00 ATOM 599 CB PHE A 78 3.054 101.748 28.367 1.00 0.00 ATOM 600 CG PHE A 78 3.931 102.861 27.869 1.00 0.00 ATOM 601 CD1 PHE A 78 3.382 103.965 27.241 1.00 0.00 ATOM 602 CD2 PHE A 78 5.304 102.803 28.028 1.00 0.00 ATOM 603 CE1 PHE A 78 4.190 104.990 26.784 1.00 0.00 ATOM 604 CE2 PHE A 78 6.112 103.826 27.572 1.00 0.00 ATOM 605 CZ PHE A 78 5.560 104.917 26.951 1.00 0.00 ATOM 606 O PHE A 78 1.141 99.600 28.672 1.00 0.00 ATOM 607 C PHE A 78 2.199 99.443 28.076 1.00 0.00 ATOM 608 N LYS A 79 2.788 98.221 27.958 1.00 0.00 ATOM 609 CA LYS A 79 2.196 97.048 28.561 1.00 0.00 ATOM 610 CB LYS A 79 1.488 96.144 27.839 1.00 0.00 ATOM 611 CG LYS A 79 0.010 96.330 28.148 1.00 0.00 ATOM 612 CD LYS A 79 -0.789 95.151 27.635 1.00 0.00 ATOM 613 CE LYS A 79 -2.202 95.115 28.211 1.00 0.00 ATOM 614 NZ LYS A 79 -3.068 96.218 27.692 1.00 0.00 ATOM 615 O LYS A 79 4.063 96.238 29.819 1.00 0.00 ATOM 616 C LYS A 79 2.892 96.615 29.840 1.00 0.00 ATOM 617 N ARG A 80 2.171 96.950 31.132 1.00 0.00 ATOM 618 CA ARG A 80 2.693 96.495 32.415 1.00 0.00 ATOM 619 CB ARG A 80 1.758 96.754 33.566 1.00 0.00 ATOM 620 CG ARG A 80 1.823 98.209 34.051 1.00 0.00 ATOM 621 CD ARG A 80 1.105 98.517 35.387 1.00 0.00 ATOM 622 NE ARG A 80 -0.321 98.155 35.422 1.00 0.00 ATOM 623 CZ ARG A 80 -1.282 98.520 34.548 1.00 0.00 ATOM 624 NH1 ARG A 80 -1.049 99.292 33.483 1.00 0.00 ATOM 625 NH2 ARG A 80 -2.526 98.060 34.746 1.00 0.00 ATOM 626 O ARG A 80 1.444 94.526 31.847 1.00 0.00 ATOM 627 C ARG A 80 2.303 95.024 32.576 1.00 0.00 ATOM 628 N GLN A 81 2.923 94.339 33.532 1.00 0.00 ATOM 629 CA GLN A 81 2.654 92.924 33.775 1.00 0.00 ATOM 630 CB GLN A 81 3.448 92.434 34.947 1.00 0.00 ATOM 631 CG GLN A 81 4.906 92.528 34.580 1.00 0.00 ATOM 632 CD GLN A 81 5.879 92.129 35.677 1.00 0.00 ATOM 633 OE1 GLN A 81 5.510 91.753 36.791 1.00 0.00 ATOM 634 NE2 GLN A 81 7.166 92.245 35.400 1.00 0.00 ATOM 635 O GLN A 81 0.643 91.617 33.696 1.00 0.00 ATOM 636 C GLN A 81 1.207 92.607 34.160 1.00 0.00 ATOM 637 N PHE A 82 0.632 93.440 34.978 1.00 0.00 ATOM 638 CA PHE A 82 -0.757 93.249 35.403 1.00 0.00 ATOM 639 CB PHE A 82 -1.190 94.411 36.299 1.00 0.00 ATOM 640 CG PHE A 82 -2.633 94.352 36.714 1.00 0.00 ATOM 641 CD1 PHE A 82 -3.042 93.500 37.725 1.00 0.00 ATOM 642 CD2 PHE A 82 -3.580 95.147 36.093 1.00 0.00 ATOM 643 CE1 PHE A 82 -4.370 93.446 38.106 1.00 0.00 ATOM 644 CE2 PHE A 82 -4.906 95.093 36.473 1.00 0.00 ATOM 645 CZ PHE A 82 -5.303 94.248 37.476 1.00 0.00 ATOM 646 O PHE A 82 -2.413 92.255 33.985 1.00 0.00 ATOM 647 C PHE A 82 -1.687 93.222 34.192 1.00 0.00 ATOM 648 N GLY A 83 -1.649 94.273 33.386 1.00 0.00 ATOM 649 CA GLY A 83 -2.489 94.353 32.195 1.00 0.00 ATOM 650 O GLY A 83 -3.138 92.789 30.498 1.00 0.00 ATOM 651 C GLY A 83 -2.230 93.266 31.171 1.00 0.00 ATOM 652 N PHE A 84 -0.937 92.823 31.089 1.00 0.00 ATOM 653 CA PHE A 84 -0.578 91.757 30.167 1.00 0.00 ATOM 654 CB PHE A 84 1.006 91.722 30.110 1.00 0.00 ATOM 655 CG PHE A 84 1.552 90.686 29.181 1.00 0.00 ATOM 656 CD1 PHE A 84 1.719 90.963 27.843 1.00 0.00 ATOM 657 CD2 PHE A 84 1.811 89.406 29.642 1.00 0.00 ATOM 658 CE1 PHE A 84 2.171 90.005 27.004 1.00 0.00 ATOM 659 CE2 PHE A 84 2.283 88.440 28.795 1.00 0.00 ATOM 660 CZ PHE A 84 2.449 88.734 27.484 1.00 0.00 ATOM 661 O PHE A 84 -1.772 89.737 29.658 1.00 0.00 ATOM 662 C PHE A 84 -1.266 90.439 30.533 1.00 0.00 ATOM 663 N TYR A 85 -1.291 90.126 31.815 1.00 0.00 ATOM 664 CA TYR A 85 -1.916 88.878 32.243 1.00 0.00 ATOM 665 CB TYR A 85 -1.704 88.677 33.745 1.00 0.00 ATOM 666 CG TYR A 85 -0.297 88.266 34.115 1.00 0.00 ATOM 667 CD1 TYR A 85 0.583 89.176 34.686 1.00 0.00 ATOM 668 CD2 TYR A 85 0.147 86.969 33.891 1.00 0.00 ATOM 669 CE1 TYR A 85 1.872 88.809 35.026 1.00 0.00 ATOM 670 CE2 TYR A 85 1.432 86.584 34.226 1.00 0.00 ATOM 671 CZ TYR A 85 2.294 87.518 34.798 1.00 0.00 ATOM 672 OH TYR A 85 3.576 87.150 35.137 1.00 0.00 ATOM 673 O TYR A 85 -3.987 87.932 31.485 1.00 0.00 ATOM 674 C TYR A 85 -3.420 88.912 31.967 1.00 0.00 ATOM 675 N TYR A 86 -4.058 90.040 32.267 1.00 0.00 ATOM 676 CA TYR A 86 -5.494 90.207 32.058 1.00 0.00 ATOM 677 CB TYR A 86 -5.917 91.643 32.372 1.00 0.00 ATOM 678 CG TYR A 86 -7.385 91.918 32.126 1.00 0.00 ATOM 679 CD1 TYR A 86 -8.344 91.550 33.060 1.00 0.00 ATOM 680 CD2 TYR A 86 -7.803 92.545 30.959 1.00 0.00 ATOM 681 CE1 TYR A 86 -9.686 91.796 32.842 1.00 0.00 ATOM 682 CE2 TYR A 86 -9.142 92.800 30.725 1.00 0.00 ATOM 683 CZ TYR A 86 -10.083 92.420 31.679 1.00 0.00 ATOM 684 OH TYR A 86 -11.420 92.667 31.460 1.00 0.00 ATOM 685 O TYR A 86 -6.785 89.098 30.365 1.00 0.00 ATOM 686 C TYR A 86 -5.882 89.896 30.615 1.00 0.00 ATOM 687 N GLY A 87 -5.202 90.536 29.660 1.00 0.00 ATOM 688 CA GLY A 87 -5.493 90.317 28.255 1.00 0.00 ATOM 689 O GLY A 87 -6.155 88.263 27.207 1.00 0.00 ATOM 690 C GLY A 87 -5.313 88.855 27.892 1.00 0.00 ATOM 691 N GLU A 88 -4.208 88.270 28.353 1.00 0.00 ATOM 692 CA GLU A 88 -3.937 86.867 28.068 1.00 0.00 ATOM 693 CB GLU A 88 -2.962 86.294 29.241 1.00 0.00 ATOM 694 CG GLU A 88 -2.264 84.960 28.999 1.00 0.00 ATOM 695 CD GLU A 88 -1.283 85.001 27.838 1.00 0.00 ATOM 696 OE1 GLU A 88 -0.256 85.704 27.944 1.00 0.00 ATOM 697 OE2 GLU A 88 -1.541 84.327 26.818 1.00 0.00 ATOM 698 O GLU A 88 -5.421 84.973 28.047 1.00 0.00 ATOM 699 C GLU A 88 -5.018 85.961 28.657 1.00 0.00 ATOM 700 N ASN A 89 -5.521 86.283 29.851 1.00 0.00 ATOM 701 CA ASN A 89 -6.559 85.481 30.472 1.00 0.00 ATOM 702 CB ASN A 89 -6.834 85.987 31.890 1.00 0.00 ATOM 703 CG ASN A 89 -5.705 85.666 32.851 1.00 0.00 ATOM 704 ND2 ASN A 89 -5.645 86.400 33.955 1.00 0.00 ATOM 705 OD1 ASN A 89 -4.901 84.769 32.600 1.00 0.00 ATOM 706 O ASN A 89 -8.691 84.652 29.775 1.00 0.00 ATOM 707 C ASN A 89 -7.857 85.546 29.678 1.00 0.00 ATOM 708 N LEU A 90 -8.016 86.599 28.882 1.00 0.00 ATOM 709 CA LEU A 90 -9.225 86.789 28.083 1.00 0.00 ATOM 710 CB LEU A 90 -9.114 88.078 27.261 1.00 0.00 ATOM 711 CG LEU A 90 -9.005 89.324 28.121 1.00 0.00 ATOM 712 CD1 LEU A 90 -8.851 90.564 27.215 1.00 0.00 ATOM 713 CD2 LEU A 90 -10.165 89.507 29.066 1.00 0.00 ATOM 714 O LEU A 90 -10.692 85.437 26.756 1.00 0.00 ATOM 715 C LEU A 90 -9.541 85.631 27.139 1.00 0.00 ATOM 716 N CYS A 91 -8.525 84.860 26.768 1.00 0.00 ATOM 717 CA CYS A 91 -8.706 83.724 25.867 1.00 0.00 ATOM 718 CB CYS A 91 -7.361 83.283 25.284 1.00 0.00 ATOM 719 SG CYS A 91 -6.594 84.490 24.178 1.00 0.00 ATOM 720 O CYS A 91 -10.097 81.774 25.937 1.00 0.00 ATOM 721 C CYS A 91 -9.400 82.569 26.596 1.00 0.00 ATOM 722 N ASN A 92 -9.226 82.479 27.890 1.00 0.00 ATOM 723 CA ASN A 92 -9.767 81.366 28.668 1.00 0.00 ATOM 724 CB ASN A 92 -8.973 81.209 29.967 1.00 0.00 ATOM 725 CG ASN A 92 -7.565 80.697 29.731 1.00 0.00 ATOM 726 ND2 ASN A 92 -6.654 81.041 30.633 1.00 0.00 ATOM 727 OD1 ASN A 92 -7.302 80.004 28.748 1.00 0.00 ATOM 728 O ASN A 92 -11.814 80.792 29.771 1.00 0.00 ATOM 729 C ASN A 92 -11.227 81.586 29.042 1.00 0.00 ATOM 730 N ILE A 93 -11.821 82.646 28.512 1.00 0.00 ATOM 731 CA ILE A 93 -13.197 82.976 28.842 1.00 0.00 ATOM 732 CB ILE A 93 -13.274 84.155 29.829 1.00 0.00 ATOM 733 CG1 ILE A 93 -12.523 85.366 29.272 1.00 0.00 ATOM 734 CG2 ILE A 93 -12.651 83.773 31.164 1.00 0.00 ATOM 735 CD1 ILE A 93 -12.754 86.640 30.055 1.00 0.00 ATOM 736 O ILE A 93 -14.753 84.333 27.582 1.00 0.00 ATOM 737 C ILE A 93 -13.983 83.370 27.587 1.00 0.00 ATOM 738 N SER A 94 -13.793 82.612 26.517 1.00 0.00 ATOM 739 CA SER A 94 -14.497 82.892 25.274 1.00 0.00 ATOM 740 CB SER A 94 -13.645 82.493 24.070 1.00 0.00 ATOM 741 OG SER A 94 -13.434 81.101 24.020 1.00 0.00 ATOM 742 O SER A 94 -16.073 81.163 25.809 1.00 0.00 ATOM 743 C SER A 94 -15.862 82.221 25.213 1.00 0.00 ATOM 744 N ARG A 95 -16.799 82.824 24.511 1.00 0.00 ATOM 745 CA ARG A 95 -18.139 82.278 24.358 1.00 0.00 ATOM 746 CB ARG A 95 -18.901 83.380 23.785 1.00 0.00 ATOM 747 CG ARG A 95 -19.636 83.984 24.973 1.00 0.00 ATOM 748 CD ARG A 95 -20.470 83.000 25.786 1.00 0.00 ATOM 749 NE ARG A 95 -21.434 82.348 24.948 1.00 0.00 ATOM 750 CZ ARG A 95 -22.671 82.719 24.662 1.00 0.00 ATOM 751 NH1 ARG A 95 -23.175 83.839 25.219 1.00 0.00 ATOM 752 NH2 ARG A 95 -23.439 82.013 23.834 1.00 0.00 ATOM 753 O ARG A 95 -17.481 81.992 22.073 1.00 0.00 ATOM 754 C ARG A 95 -18.149 81.552 23.015 1.00 0.00 ATOM 755 N LEU A 96 -18.879 80.478 22.919 1.00 0.00 ATOM 756 CA LEU A 96 -18.953 79.720 21.670 1.00 0.00 ATOM 757 CB LEU A 96 -19.408 78.274 21.875 1.00 0.00 ATOM 758 CG LEU A 96 -18.503 77.395 22.740 1.00 0.00 ATOM 759 CD1 LEU A 96 -19.107 76.010 22.914 1.00 0.00 ATOM 760 CD2 LEU A 96 -17.133 77.238 22.097 1.00 0.00 ATOM 761 O LEU A 96 -20.762 81.209 21.144 1.00 0.00 ATOM 762 C LEU A 96 -19.947 80.391 20.721 1.00 0.00 ATOM 763 N TYR A 97 -19.822 79.774 19.470 1.00 0.00 ATOM 764 CA TYR A 97 -20.760 80.310 18.497 1.00 0.00 ATOM 765 CB TYR A 97 -20.337 79.931 17.075 1.00 0.00 ATOM 766 CG TYR A 97 -19.107 80.662 16.587 1.00 0.00 ATOM 767 CD1 TYR A 97 -17.866 80.038 16.580 1.00 0.00 ATOM 768 CD2 TYR A 97 -19.191 81.972 16.136 1.00 0.00 ATOM 769 CE1 TYR A 97 -16.736 80.698 16.136 1.00 0.00 ATOM 770 CE2 TYR A 97 -18.072 82.649 15.687 1.00 0.00 ATOM 771 CZ TYR A 97 -16.838 81.999 15.691 1.00 0.00 ATOM 772 OH TYR A 97 -15.714 82.658 15.248 1.00 0.00 ATOM 773 O TYR A 97 -22.151 78.537 19.362 1.00 0.00 ATOM 774 C TYR A 97 -22.104 79.671 18.866 1.00 0.00 ATOM 775 N PRO A 98 -23.188 80.404 18.645 1.00 0.00 ATOM 776 CA PRO A 98 -24.526 79.937 18.987 1.00 0.00 ATOM 777 CB PRO A 98 -25.455 80.906 18.253 1.00 0.00 ATOM 778 CG PRO A 98 -24.694 82.188 18.200 1.00 0.00 ATOM 779 CD PRO A 98 -23.268 81.813 17.910 1.00 0.00 ATOM 780 O PRO A 98 -25.373 77.741 19.384 1.00 0.00 ATOM 781 C PRO A 98 -24.865 78.509 18.577 1.00 0.00 ATOM 782 N ASN A 99 -24.581 78.146 17.332 1.00 0.00 ATOM 783 CA ASN A 99 -24.896 76.807 16.857 1.00 0.00 ATOM 784 CB ASN A 99 -24.757 76.732 15.335 1.00 0.00 ATOM 785 CG ASN A 99 -25.870 77.464 14.612 1.00 0.00 ATOM 786 ND2 ASN A 99 -25.627 77.814 13.355 1.00 0.00 ATOM 787 OD1 ASN A 99 -26.935 77.711 15.178 1.00 0.00 ATOM 788 O ASN A 99 -24.398 74.526 17.390 1.00 0.00 ATOM 789 C ASN A 99 -24.011 75.698 17.417 1.00 0.00 ATOM 790 N VAL A 100 -22.868 76.068 17.992 1.00 0.00 ATOM 791 CA VAL A 100 -21.918 75.096 18.517 1.00 0.00 ATOM 792 CB VAL A 100 -20.777 75.782 19.290 1.00 0.00 ATOM 793 CG1 VAL A 100 -19.916 74.749 19.999 1.00 0.00 ATOM 794 CG2 VAL A 100 -19.893 76.576 18.340 1.00 0.00 ATOM 795 O VAL A 100 -22.251 72.867 19.277 1.00 0.00 ATOM 796 C VAL A 100 -22.437 74.070 19.505 1.00 0.00 ATOM 797 N LYS A 101 -23.056 74.445 20.628 1.00 0.00 ATOM 798 CA LYS A 101 -23.508 73.500 21.638 1.00 0.00 ATOM 799 CB LYS A 101 -24.345 74.218 22.699 1.00 0.00 ATOM 800 CG LYS A 101 -24.889 73.304 23.784 1.00 0.00 ATOM 801 CD LYS A 101 -25.667 74.088 24.827 1.00 0.00 ATOM 802 CE LYS A 101 -26.241 73.170 25.895 1.00 0.00 ATOM 803 NZ LYS A 101 -26.984 73.929 26.940 1.00 0.00 ATOM 804 O LYS A 101 -24.120 71.215 21.167 1.00 0.00 ATOM 805 C LYS A 101 -24.415 72.404 21.058 1.00 0.00 ATOM 806 N GLU A 102 -25.510 72.811 20.430 1.00 0.00 ATOM 807 CA GLU A 102 -26.443 71.866 19.837 1.00 0.00 ATOM 808 CB GLU A 102 -27.573 72.607 19.122 1.00 0.00 ATOM 809 CG GLU A 102 -28.545 73.309 20.056 1.00 0.00 ATOM 810 CD GLU A 102 -29.578 74.133 19.312 1.00 0.00 ATOM 811 OE1 GLU A 102 -29.489 74.214 18.068 1.00 0.00 ATOM 812 OE2 GLU A 102 -30.475 74.698 19.972 1.00 0.00 ATOM 813 O GLU A 102 -26.093 69.790 18.679 1.00 0.00 ATOM 814 C GLU A 102 -25.778 70.976 18.786 1.00 0.00 ATOM 815 N THR A 103 -24.862 71.552 18.017 1.00 0.00 ATOM 816 CA THR A 103 -24.209 70.783 16.957 1.00 0.00 ATOM 817 CB THR A 103 -23.340 71.701 16.077 1.00 0.00 ATOM 818 CG2 THR A 103 -22.598 70.888 15.029 1.00 0.00 ATOM 819 OG1 THR A 103 -24.174 72.661 15.416 1.00 0.00 ATOM 820 O THR A 103 -23.331 68.571 17.057 1.00 0.00 ATOM 821 C THR A 103 -23.317 69.702 17.537 1.00 0.00 ATOM 822 N LEU A 104 -22.560 70.058 18.570 1.00 0.00 ATOM 823 CA LEU A 104 -21.681 69.088 19.228 1.00 0.00 ATOM 824 CB LEU A 104 -20.858 69.773 20.321 1.00 0.00 ATOM 825 CG LEU A 104 -19.821 70.793 19.848 1.00 0.00 ATOM 826 CD1 LEU A 104 -19.205 71.522 21.034 1.00 0.00 ATOM 827 CD2 LEU A 104 -18.701 70.106 19.081 1.00 0.00 ATOM 828 O LEU A 104 -22.109 66.789 19.738 1.00 0.00 ATOM 829 C LEU A 104 -22.477 67.956 19.853 1.00 0.00 ATOM 830 N GLU A 105 -23.593 68.305 20.478 1.00 0.00 ATOM 831 CA GLU A 105 -24.455 67.317 21.115 1.00 0.00 ATOM 832 CB GLU A 105 -25.613 68.004 21.840 1.00 0.00 ATOM 833 CG GLU A 105 -25.200 68.766 23.088 1.00 0.00 ATOM 834 CD GLU A 105 -26.350 69.534 23.710 1.00 0.00 ATOM 835 OE1 GLU A 105 -27.453 69.530 23.123 1.00 0.00 ATOM 836 OE2 GLU A 105 -26.149 70.138 24.784 1.00 0.00 ATOM 837 O GLU A 105 -25.086 65.160 20.285 1.00 0.00 ATOM 838 C GLU A 105 -25.020 66.368 20.068 1.00 0.00 ATOM 839 N ALA A 106 -25.407 66.923 18.942 1.00 0.00 ATOM 840 CA ALA A 106 -25.968 66.118 17.865 1.00 0.00 ATOM 841 CB ALA A 106 -26.521 67.005 16.760 1.00 0.00 ATOM 842 O ALA A 106 -25.229 63.989 17.017 1.00 0.00 ATOM 843 C ALA A 106 -24.939 65.165 17.251 1.00 0.00 ATOM 844 N LEU A 107 -23.745 65.666 16.976 1.00 0.00 ATOM 845 CA LEU A 107 -22.685 64.837 16.398 1.00 0.00 ATOM 846 CB LEU A 107 -21.445 65.680 16.093 1.00 0.00 ATOM 847 CG LEU A 107 -21.595 66.739 15.002 1.00 0.00 ATOM 848 CD1 LEU A 107 -20.345 67.599 14.910 1.00 0.00 ATOM 849 CD2 LEU A 107 -21.824 66.087 13.646 1.00 0.00 ATOM 850 O LEU A 107 -21.988 62.595 16.872 1.00 0.00 ATOM 851 C LEU A 107 -22.296 63.693 17.328 1.00 0.00 ATOM 852 N LYS A 108 -22.307 63.961 18.614 1.00 0.00 ATOM 853 CA LYS A 108 -21.984 62.926 19.588 1.00 0.00 ATOM 854 CB LYS A 108 -21.807 63.524 20.985 1.00 0.00 ATOM 855 CG LYS A 108 -21.367 62.522 22.039 1.00 0.00 ATOM 856 CD LYS A 108 -21.115 63.200 23.376 1.00 0.00 ATOM 857 CE LYS A 108 -20.669 62.198 24.428 1.00 0.00 ATOM 858 NZ LYS A 108 -20.402 62.852 25.739 1.00 0.00 ATOM 859 O LYS A 108 -22.883 60.714 19.802 1.00 0.00 ATOM 860 C LYS A 108 -23.117 61.906 19.604 1.00 0.00 ATOM 861 N ALA A 109 -24.337 62.376 19.349 1.00 0.00 ATOM 862 CA ALA A 109 -25.500 61.494 19.300 1.00 0.00 ATOM 863 CB ALA A 109 -26.763 62.296 19.026 1.00 0.00 ATOM 864 O ALA A 109 -25.616 59.314 18.311 1.00 0.00 ATOM 865 C ALA A 109 -25.273 60.491 18.183 1.00 0.00 ATOM 866 N GLN A 110 -24.691 60.973 17.086 1.00 0.00 ATOM 867 CA GLN A 110 -24.404 60.141 15.922 1.00 0.00 ATOM 868 CB GLN A 110 -24.794 60.995 14.624 1.00 0.00 ATOM 869 CG GLN A 110 -24.627 60.194 13.326 1.00 0.00 ATOM 870 CD GLN A 110 -25.158 60.908 12.093 1.00 0.00 ATOM 871 OE1 GLN A 110 -25.457 62.104 12.126 1.00 0.00 ATOM 872 NE2 GLN A 110 -25.263 60.173 10.991 1.00 0.00 ATOM 873 O GLN A 110 -23.140 58.171 15.426 1.00 0.00 ATOM 874 C GLN A 110 -23.309 59.113 16.191 1.00 0.00 ATOM 875 N GLY A 111 -22.550 59.296 17.273 1.00 0.00 ATOM 876 CA GLY A 111 -21.577 58.306 17.685 1.00 0.00 ATOM 877 O GLY A 111 -19.409 57.637 16.950 1.00 0.00 ATOM 878 C GLY A 111 -20.195 58.574 17.117 1.00 0.00 ATOM 879 N TYR A 112 -19.933 59.831 16.849 1.00 0.00 ATOM 880 CA TYR A 112 -18.620 60.156 16.305 1.00 0.00 ATOM 881 CB TYR A 112 -18.721 61.324 15.323 1.00 0.00 ATOM 882 CG TYR A 112 -19.428 60.979 14.032 1.00 0.00 ATOM 883 CD1 TYR A 112 -20.784 61.240 13.872 1.00 0.00 ATOM 884 CD2 TYR A 112 -18.739 60.395 12.977 1.00 0.00 ATOM 885 CE1 TYR A 112 -21.439 60.928 12.695 1.00 0.00 ATOM 886 CE2 TYR A 112 -19.377 60.077 11.792 1.00 0.00 ATOM 887 CZ TYR A 112 -20.738 60.349 11.660 1.00 0.00 ATOM 888 OH TYR A 112 -21.387 60.037 10.487 1.00 0.00 ATOM 889 O TYR A 112 -18.128 61.114 18.442 1.00 0.00 ATOM 890 C TYR A 112 -17.686 60.543 17.443 1.00 0.00 ATOM 891 N ILE A 113 -16.414 60.176 17.317 1.00 0.00 ATOM 892 CA ILE A 113 -15.417 60.512 18.322 1.00 0.00 ATOM 893 CB ILE A 113 -14.207 59.560 18.256 1.00 0.00 ATOM 894 CG1 ILE A 113 -14.655 58.114 18.475 1.00 0.00 ATOM 895 CG2 ILE A 113 -13.191 59.918 19.328 1.00 0.00 ATOM 896 CD1 ILE A 113 -15.319 57.876 19.814 1.00 0.00 ATOM 897 O ILE A 113 -14.698 62.290 16.859 1.00 0.00 ATOM 898 C ILE A 113 -15.025 61.986 18.011 1.00 0.00 ATOM 899 N LEU A 114 -15.123 62.809 19.006 1.00 0.00 ATOM 900 CA LEU A 114 -14.787 64.237 18.799 1.00 0.00 ATOM 901 CB LEU A 114 -15.922 65.132 19.300 1.00 0.00 ATOM 902 CG LEU A 114 -17.279 64.953 18.614 1.00 0.00 ATOM 903 CD1 LEU A 114 -18.331 65.838 19.268 1.00 0.00 ATOM 904 CD2 LEU A 114 -17.191 65.325 17.144 1.00 0.00 ATOM 905 O LEU A 114 -13.330 64.092 20.691 1.00 0.00 ATOM 906 C LEU A 114 -13.528 64.576 19.574 1.00 0.00 ATOM 907 N ALA A 115 -12.689 65.431 18.988 1.00 0.00 ATOM 908 CA ALA A 115 -11.452 65.846 19.644 1.00 0.00 ATOM 909 CB ALA A 115 -10.304 64.937 19.234 1.00 0.00 ATOM 910 O ALA A 115 -11.553 67.791 18.236 1.00 0.00 ATOM 911 C ALA A 115 -11.080 67.274 19.252 1.00 0.00 ATOM 912 N VAL A 116 -10.254 67.915 20.071 1.00 0.00 ATOM 913 CA VAL A 116 -9.793 69.273 19.801 1.00 0.00 ATOM 914 CB VAL A 116 -10.190 70.227 20.930 1.00 0.00 ATOM 915 CG1 VAL A 116 -9.765 71.644 20.556 1.00 0.00 ATOM 916 CG2 VAL A 116 -11.678 70.210 21.202 1.00 0.00 ATOM 917 O VAL A 116 -7.634 68.556 20.509 1.00 0.00 ATOM 918 C VAL A 116 -8.278 69.223 19.709 1.00 0.00 ATOM 919 N VAL A 117 -7.715 69.909 18.721 1.00 0.00 ATOM 920 CA VAL A 117 -6.269 69.959 18.547 1.00 0.00 ATOM 921 CB VAL A 117 -5.803 69.247 17.264 1.00 0.00 ATOM 922 CG1 VAL A 117 -4.293 69.349 17.116 1.00 0.00 ATOM 923 CG2 VAL A 117 -6.184 67.774 17.304 1.00 0.00 ATOM 924 O VAL A 117 -6.132 72.089 17.460 1.00 0.00 ATOM 925 C VAL A 117 -5.901 71.435 18.477 1.00 0.00 ATOM 926 N THR A 118 -5.361 71.965 19.568 1.00 0.00 ATOM 927 CA THR A 118 -4.969 73.370 19.629 1.00 0.00 ATOM 928 CB THR A 118 -5.837 74.161 20.626 1.00 0.00 ATOM 929 CG2 THR A 118 -7.313 73.986 20.301 1.00 0.00 ATOM 930 OG1 THR A 118 -5.596 73.686 21.956 1.00 0.00 ATOM 931 O THR A 118 -2.796 72.566 20.263 1.00 0.00 ATOM 932 C THR A 118 -3.518 73.544 20.069 1.00 0.00 ATOM 933 N ASN A 119 -3.183 74.899 20.222 1.00 0.00 ATOM 934 CA ASN A 119 -1.835 75.292 20.603 1.00 0.00 ATOM 935 CB ASN A 119 -1.514 76.692 20.074 1.00 0.00 ATOM 936 CG ASN A 119 -1.432 76.738 18.560 1.00 0.00 ATOM 937 ND2 ASN A 119 -1.614 77.925 17.995 1.00 0.00 ATOM 938 OD1 ASN A 119 -1.208 75.717 17.910 1.00 0.00 ATOM 939 O ASN A 119 -0.477 74.988 22.554 1.00 0.00 ATOM 940 C ASN A 119 -1.566 75.344 22.101 1.00 0.00 ATOM 941 N LYS A 120 -2.541 75.848 22.849 1.00 0.00 ATOM 942 CA LYS A 120 -2.401 75.989 24.288 1.00 0.00 ATOM 943 CB LYS A 120 -3.630 76.682 24.879 1.00 0.00 ATOM 944 CG LYS A 120 -3.783 78.136 24.466 1.00 0.00 ATOM 945 CD LYS A 120 -5.034 78.753 25.070 1.00 0.00 ATOM 946 CE LYS A 120 -5.142 80.231 24.727 1.00 0.00 ATOM 947 NZ LYS A 120 -6.312 80.870 25.389 1.00 0.00 ATOM 948 O LYS A 120 -2.787 73.658 24.686 1.00 0.00 ATOM 949 C LYS A 120 -2.359 74.714 25.120 1.00 0.00 ATOM 950 N PRO A 121 -1.833 74.829 26.336 1.00 0.00 ATOM 951 CA PRO A 121 -1.806 73.694 27.243 1.00 0.00 ATOM 952 CB PRO A 121 -1.393 74.330 28.579 1.00 0.00 ATOM 953 CG PRO A 121 -0.454 75.480 28.139 1.00 0.00 ATOM 954 CD PRO A 121 -1.105 76.006 26.896 1.00 0.00 ATOM 955 O PRO A 121 -4.204 73.601 27.386 1.00 0.00 ATOM 956 C PRO A 121 -3.141 72.977 27.429 1.00 0.00 ATOM 957 N THR A 122 -3.072 71.640 27.639 1.00 0.00 ATOM 958 CA THR A 122 -4.288 70.858 27.821 1.00 0.00 ATOM 959 CB THR A 122 -4.002 69.392 28.195 1.00 0.00 ATOM 960 CG2 THR A 122 -5.302 68.620 28.355 1.00 0.00 ATOM 961 OG1 THR A 122 -3.220 68.777 27.163 1.00 0.00 ATOM 962 O THR A 122 -6.394 71.547 28.765 1.00 0.00 ATOM 963 C THR A 122 -5.170 71.471 28.911 1.00 0.00 ATOM 964 N LYS A 123 -4.528 71.978 29.961 1.00 0.00 ATOM 965 CA LYS A 123 -5.226 72.607 31.074 1.00 0.00 ATOM 966 CB LYS A 123 -4.226 73.121 32.113 1.00 0.00 ATOM 967 CG LYS A 123 -3.517 72.024 32.889 1.00 0.00 ATOM 968 CD LYS A 123 -2.543 72.605 33.901 1.00 0.00 ATOM 969 CE LYS A 123 -1.817 71.507 34.660 1.00 0.00 ATOM 970 NZ LYS A 123 -0.835 72.059 35.632 1.00 0.00 ATOM 971 O LYS A 123 -7.194 73.964 31.120 1.00 0.00 ATOM 972 C LYS A 123 -6.080 73.797 30.641 1.00 0.00 ATOM 973 N HIS A 124 -5.547 74.640 29.761 1.00 0.00 ATOM 974 CA HIS A 124 -6.290 75.805 29.285 1.00 0.00 ATOM 975 CB HIS A 124 -5.368 76.792 28.614 1.00 0.00 ATOM 976 CG HIS A 124 -4.339 77.302 29.554 1.00 0.00 ATOM 977 CD2 HIS A 124 -4.450 78.147 30.600 1.00 0.00 ATOM 978 ND1 HIS A 124 -3.019 76.903 29.503 1.00 0.00 ATOM 979 CE1 HIS A 124 -2.387 77.445 30.525 1.00 0.00 ATOM 980 NE2 HIS A 124 -3.228 78.213 31.194 1.00 0.00 ATOM 981 O HIS A 124 -8.465 75.996 28.312 1.00 0.00 ATOM 982 C HIS A 124 -7.390 75.410 28.300 1.00 0.00 ATOM 983 N VAL A 125 -7.115 74.432 27.440 1.00 0.00 ATOM 984 CA VAL A 125 -8.103 73.957 26.480 1.00 0.00 ATOM 985 CB VAL A 125 -7.538 72.826 25.601 1.00 0.00 ATOM 986 CG1 VAL A 125 -8.638 72.213 24.748 1.00 0.00 ATOM 987 CG2 VAL A 125 -6.455 73.361 24.676 1.00 0.00 ATOM 988 O VAL A 125 -10.419 73.634 26.967 1.00 0.00 ATOM 989 C VAL A 125 -9.261 73.390 27.299 1.00 0.00 ATOM 990 N GLN A 126 -8.993 72.646 28.360 1.00 0.00 ATOM 991 CA GLN A 126 -10.044 72.054 29.185 1.00 0.00 ATOM 992 CB GLN A 126 -9.364 71.248 30.294 1.00 0.00 ATOM 993 CG GLN A 126 -10.333 70.547 31.234 1.00 0.00 ATOM 994 CD GLN A 126 -9.624 69.743 32.307 1.00 0.00 ATOM 995 OE1 GLN A 126 -8.397 69.772 32.409 1.00 0.00 ATOM 996 NE2 GLN A 126 -10.397 69.021 33.110 1.00 0.00 ATOM 997 O GLN A 126 -12.120 73.104 29.807 1.00 0.00 ATOM 998 C GLN A 126 -10.892 73.163 29.816 1.00 0.00 ATOM 999 N PRO A 127 -10.221 74.196 30.313 1.00 0.00 ATOM 1000 CA PRO A 127 -10.869 75.332 30.964 1.00 0.00 ATOM 1001 CB PRO A 127 -9.723 76.260 31.335 1.00 0.00 ATOM 1002 CG PRO A 127 -8.648 75.271 31.686 1.00 0.00 ATOM 1003 CD PRO A 127 -8.750 74.234 30.597 1.00 0.00 ATOM 1004 O PRO A 127 -13.027 76.272 30.520 1.00 0.00 ATOM 1005 C PRO A 127 -11.906 76.018 30.083 1.00 0.00 ATOM 1006 N ILE A 128 -11.537 76.296 28.839 1.00 0.00 ATOM 1007 CA ILE A 128 -12.444 76.953 27.906 1.00 0.00 ATOM 1008 CB ILE A 128 -11.804 77.114 26.515 1.00 0.00 ATOM 1009 CG1 ILE A 128 -10.636 78.102 26.576 1.00 0.00 ATOM 1010 CG2 ILE A 128 -12.826 77.637 25.516 1.00 0.00 ATOM 1011 CD1 ILE A 128 -9.784 78.116 25.327 1.00 0.00 ATOM 1012 O ILE A 128 -14.824 76.663 27.958 1.00 0.00 ATOM 1013 C ILE A 128 -13.731 76.142 27.740 1.00 0.00 ATOM 1014 N LEU A 129 -13.597 74.859 27.402 1.00 0.00 ATOM 1015 CA LEU A 129 -14.749 73.976 27.204 1.00 0.00 ATOM 1016 CB LEU A 129 -14.298 72.619 26.660 1.00 0.00 ATOM 1017 CG LEU A 129 -13.738 72.612 25.236 1.00 0.00 ATOM 1018 CD1 LEU A 129 -13.187 71.238 24.882 1.00 0.00 ATOM 1019 CD2 LEU A 129 -14.820 72.965 24.230 1.00 0.00 ATOM 1020 O LEU A 129 -16.760 73.579 28.441 1.00 0.00 ATOM 1021 C LEU A 129 -15.544 73.728 28.487 1.00 0.00 ATOM 1022 N THR A 130 -14.863 73.664 29.626 1.00 0.00 ATOM 1023 CA THR A 130 -15.547 73.459 30.893 1.00 0.00 ATOM 1024 CB THR A 130 -14.545 73.197 32.034 1.00 0.00 ATOM 1025 CG2 THR A 130 -15.279 73.003 33.353 1.00 0.00 ATOM 1026 OG1 THR A 130 -13.786 72.017 31.747 1.00 0.00 ATOM 1027 O THR A 130 -17.539 74.571 31.612 1.00 0.00 ATOM 1028 C THR A 130 -16.375 74.689 31.244 1.00 0.00 ATOM 1029 N ALA A 131 -15.785 75.871 31.094 1.00 0.00 ATOM 1030 CA ALA A 131 -16.475 77.128 31.384 1.00 0.00 ATOM 1031 CB ALA A 131 -15.569 78.312 31.086 1.00 0.00 ATOM 1032 O ALA A 131 -18.738 77.798 30.948 1.00 0.00 ATOM 1033 C ALA A 131 -17.729 77.239 30.522 1.00 0.00 ATOM 1034 N PHE A 132 -17.641 76.727 29.298 1.00 0.00 ATOM 1035 CA PHE A 132 -18.747 76.748 28.358 1.00 0.00 ATOM 1036 CB PHE A 132 -18.228 76.718 26.919 1.00 0.00 ATOM 1037 CG PHE A 132 -17.438 77.936 26.534 1.00 0.00 ATOM 1038 CD1 PHE A 132 -17.560 79.112 27.253 1.00 0.00 ATOM 1039 CD2 PHE A 132 -16.575 77.907 25.453 1.00 0.00 ATOM 1040 CE1 PHE A 132 -16.833 80.234 26.899 1.00 0.00 ATOM 1041 CE2 PHE A 132 -15.848 79.027 25.098 1.00 0.00 ATOM 1042 CZ PHE A 132 -15.974 80.187 25.817 1.00 0.00 ATOM 1043 O PHE A 132 -20.654 75.361 27.847 1.00 0.00 ATOM 1044 C PHE A 132 -19.675 75.561 28.582 1.00 0.00 ATOM 1045 N GLY A 133 -19.333 74.730 29.565 1.00 0.00 ATOM 1046 CA GLY A 133 -20.122 73.540 29.896 1.00 0.00 ATOM 1047 O GLY A 133 -21.068 71.691 28.722 1.00 0.00 ATOM 1048 C GLY A 133 -20.163 72.515 28.780 1.00 0.00 ATOM 1049 N ILE A 134 -19.187 72.559 27.895 1.00 0.00 ATOM 1050 CA ILE A 134 -19.126 71.629 26.777 1.00 0.00 ATOM 1051 CB ILE A 134 -19.342 72.517 25.423 1.00 0.00 ATOM 1052 CG1 ILE A 134 -20.758 73.025 25.329 1.00 0.00 ATOM 1053 CG2 ILE A 134 -18.968 71.712 24.187 1.00 0.00 ATOM 1054 CD1 ILE A 134 -21.809 71.933 25.030 1.00 0.00 ATOM 1055 O ILE A 134 -18.094 69.569 26.126 1.00 0.00 ATOM 1056 C ILE A 134 -18.166 70.464 26.967 1.00 0.00 ATOM 1057 N ASP A 135 -17.436 70.475 28.073 1.00 0.00 ATOM 1058 CA ASP A 135 -16.441 69.443 28.367 1.00 0.00 ATOM 1059 CB ASP A 135 -16.139 69.406 29.866 1.00 0.00 ATOM 1060 CG ASP A 135 -15.003 68.462 30.208 1.00 0.00 ATOM 1061 OD1 ASP A 135 -13.873 68.694 29.732 1.00 0.00 ATOM 1062 OD2 ASP A 135 -15.246 67.488 30.954 1.00 0.00 ATOM 1063 O ASP A 135 -15.981 67.241 27.550 1.00 0.00 ATOM 1064 C ASP A 135 -16.781 67.976 28.123 1.00 0.00 ATOM 1065 N HIS A 136 -17.997 67.551 28.524 1.00 0.00 ATOM 1066 CA HIS A 136 -18.401 66.159 28.353 1.00 0.00 ATOM 1067 CB HIS A 136 -19.781 65.971 28.987 1.00 0.00 ATOM 1068 CG HIS A 136 -20.881 66.685 28.263 1.00 0.00 ATOM 1069 CD2 HIS A 136 -21.857 66.327 27.243 1.00 0.00 ATOM 1070 ND1 HIS A 136 -21.185 68.009 28.492 1.00 0.00 ATOM 1071 CE1 HIS A 136 -22.211 68.366 27.699 1.00 0.00 ATOM 1072 NE2 HIS A 136 -22.619 67.362 26.947 1.00 0.00 ATOM 1073 O HIS A 136 -18.718 64.481 26.671 1.00 0.00 ATOM 1074 C HIS A 136 -18.566 65.681 26.909 1.00 0.00 ATOM 1075 N LEU A 137 -18.529 66.602 25.952 1.00 0.00 ATOM 1076 CA LEU A 137 -18.698 66.219 24.564 1.00 0.00 ATOM 1077 CB LEU A 137 -19.321 67.366 23.764 1.00 0.00 ATOM 1078 CG LEU A 137 -20.724 67.804 24.190 1.00 0.00 ATOM 1079 CD1 LEU A 137 -21.178 69.009 23.382 1.00 0.00 ATOM 1080 CD2 LEU A 137 -21.727 66.682 23.973 1.00 0.00 ATOM 1081 O LEU A 137 -17.703 65.143 22.854 1.00 0.00 ATOM 1082 C LEU A 137 -17.428 65.709 23.893 1.00 0.00 ATOM 1083 N PHE A 138 -16.295 65.926 24.421 1.00 0.00 ATOM 1084 CA PHE A 138 -15.021 65.679 23.758 1.00 0.00 ATOM 1085 CB PHE A 138 -14.073 66.880 23.808 1.00 0.00 ATOM 1086 CG PHE A 138 -14.546 68.060 23.009 1.00 0.00 ATOM 1087 CD1 PHE A 138 -15.330 69.040 23.594 1.00 0.00 ATOM 1088 CD2 PHE A 138 -14.210 68.190 21.674 1.00 0.00 ATOM 1089 CE1 PHE A 138 -15.765 70.127 22.859 1.00 0.00 ATOM 1090 CE2 PHE A 138 -14.647 69.277 20.938 1.00 0.00 ATOM 1091 CZ PHE A 138 -15.421 70.243 21.527 1.00 0.00 ATOM 1092 O PHE A 138 -14.134 64.295 25.516 1.00 0.00 ATOM 1093 C PHE A 138 -14.276 64.457 24.288 1.00 0.00 ATOM 1094 N SER A 139 -13.783 63.638 23.345 1.00 0.00 ATOM 1095 CA SER A 139 -13.035 62.437 23.780 1.00 0.00 ATOM 1096 CB SER A 139 -13.091 61.409 22.649 1.00 0.00 ATOM 1097 OG SER A 139 -14.412 60.935 22.453 1.00 0.00 ATOM 1098 O SER A 139 -10.988 62.224 25.008 1.00 0.00 ATOM 1099 C SER A 139 -11.572 62.773 24.077 1.00 0.00 ATOM 1100 N GLU A 140 -11.003 63.660 23.248 1.00 0.00 ATOM 1101 CA GLU A 140 -9.613 64.052 23.388 1.00 0.00 ATOM 1102 CB GLU A 140 -8.764 63.410 22.289 1.00 0.00 ATOM 1103 CG GLU A 140 -8.782 61.889 22.299 1.00 0.00 ATOM 1104 CD GLU A 140 -8.010 61.305 23.465 1.00 0.00 ATOM 1105 OE1 GLU A 140 -7.267 62.062 24.123 1.00 0.00 ATOM 1106 OE2 GLU A 140 -8.149 60.090 23.720 1.00 0.00 ATOM 1107 O GLU A 140 -10.024 66.217 22.453 1.00 0.00 ATOM 1108 C GLU A 140 -9.424 65.552 23.297 1.00 0.00 ATOM 1109 N MET A 141 -8.574 66.066 24.173 1.00 0.00 ATOM 1110 CA MET A 141 -8.217 67.474 24.190 1.00 0.00 ATOM 1111 CB MET A 141 -8.576 68.101 25.539 1.00 0.00 ATOM 1112 CG MET A 141 -10.060 68.060 25.867 1.00 0.00 ATOM 1113 SD MET A 141 -10.439 68.787 27.473 1.00 0.00 ATOM 1114 CE MET A 141 -9.919 67.472 28.571 1.00 0.00 ATOM 1115 O MET A 141 -5.974 66.882 24.777 1.00 0.00 ATOM 1116 C MET A 141 -6.717 67.408 23.949 1.00 0.00 ATOM 1117 N LEU A 142 -6.291 67.873 22.782 1.00 0.00 ATOM 1118 CA LEU A 142 -4.890 67.819 22.394 1.00 0.00 ATOM 1119 CB LEU A 142 -4.734 67.120 21.044 1.00 0.00 ATOM 1120 CG LEU A 142 -5.256 65.683 20.960 1.00 0.00 ATOM 1121 CD1 LEU A 142 -5.114 65.140 19.547 1.00 0.00 ATOM 1122 CD2 LEU A 142 -4.480 64.773 21.900 1.00 0.00 ATOM 1123 O LEU A 142 -4.850 70.154 21.832 1.00 0.00 ATOM 1124 C LEU A 142 -4.229 69.183 22.252 1.00 0.00 ATOM 1125 N GLY A 143 -2.946 69.221 22.575 1.00 0.00 ATOM 1126 CA GLY A 143 -2.121 70.409 22.479 1.00 0.00 ATOM 1127 O GLY A 143 -0.465 68.902 21.592 1.00 0.00 ATOM 1128 C GLY A 143 -0.940 70.019 21.592 1.00 0.00 ATOM 1129 N GLY A 144 -0.410 70.949 20.833 1.00 0.00 ATOM 1130 CA GLY A 144 0.740 70.731 19.989 1.00 0.00 ATOM 1131 O GLY A 144 3.102 70.444 20.209 1.00 0.00 ATOM 1132 C GLY A 144 2.037 70.706 20.773 1.00 0.00 ATOM 1133 N GLN A 145 1.901 70.966 22.136 1.00 0.00 ATOM 1134 CA GLN A 145 3.073 70.981 23.009 1.00 0.00 ATOM 1135 CB GLN A 145 2.530 71.222 24.485 1.00 0.00 ATOM 1136 CG GLN A 145 1.744 72.509 24.689 1.00 0.00 ATOM 1137 CD GLN A 145 1.259 72.679 26.114 1.00 0.00 ATOM 1138 OE1 GLN A 145 0.573 71.810 26.658 1.00 0.00 ATOM 1139 NE2 GLN A 145 1.608 73.804 26.730 1.00 0.00 ATOM 1140 O GLN A 145 5.154 69.829 23.097 1.00 0.00 ATOM 1141 C GLN A 145 3.927 69.722 23.032 1.00 0.00 ATOM 1142 N SER A 146 3.328 68.545 22.921 1.00 0.00 ATOM 1143 CA SER A 146 4.121 67.309 22.963 1.00 0.00 ATOM 1144 CB SER A 146 3.218 66.080 22.828 1.00 0.00 ATOM 1145 OG SER A 146 2.522 66.095 21.594 1.00 0.00 ATOM 1146 O SER A 146 6.214 66.683 21.990 1.00 0.00 ATOM 1147 C SER A 146 5.128 67.234 21.814 1.00 0.00 ATOM 1148 N LEU A 147 4.776 67.767 20.644 1.00 0.00 ATOM 1149 CA LEU A 147 5.689 67.730 19.497 1.00 0.00 ATOM 1150 CB LEU A 147 4.874 67.430 18.283 1.00 0.00 ATOM 1151 CG LEU A 147 4.538 65.949 18.259 1.00 0.00 ATOM 1152 CD1 LEU A 147 3.710 65.600 17.075 1.00 0.00 ATOM 1153 CD2 LEU A 147 5.797 65.106 18.320 1.00 0.00 ATOM 1154 O LEU A 147 4.846 69.978 19.334 1.00 0.00 ATOM 1155 C LEU A 147 5.800 69.251 19.599 1.00 0.00 ATOM 1156 N PRO A 148 6.992 69.695 20.050 1.00 0.00 ATOM 1157 CA PRO A 148 7.322 71.110 20.239 1.00 0.00 ATOM 1158 CB PRO A 148 8.697 71.042 20.892 1.00 0.00 ATOM 1159 CG PRO A 148 9.312 69.893 20.193 1.00 0.00 ATOM 1160 CD PRO A 148 8.196 68.863 20.235 1.00 0.00 ATOM 1161 O PRO A 148 8.355 72.519 18.592 1.00 0.00 ATOM 1162 C PRO A 148 7.355 71.876 18.917 1.00 0.00 ATOM 1163 N GLU A 149 6.260 71.828 18.172 1.00 0.00 ATOM 1164 CA GLU A 149 6.162 72.523 16.896 1.00 0.00 ATOM 1165 CB GLU A 149 6.613 71.602 15.760 1.00 0.00 ATOM 1166 CG GLU A 149 8.064 71.161 15.858 1.00 0.00 ATOM 1167 CD GLU A 149 8.460 70.212 14.742 1.00 0.00 ATOM 1168 OE1 GLU A 149 7.612 69.933 13.871 1.00 0.00 ATOM 1169 OE2 GLU A 149 9.620 69.751 14.742 1.00 0.00 ATOM 1170 O GLU A 149 3.849 72.441 17.476 1.00 0.00 ATOM 1171 C GLU A 149 4.700 72.907 16.724 1.00 0.00 ATOM 1172 N ILE A 150 4.415 73.786 15.773 1.00 0.00 ATOM 1173 CA ILE A 150 3.047 74.223 15.527 1.00 0.00 ATOM 1174 CB ILE A 150 2.991 75.729 15.232 1.00 0.00 ATOM 1175 CG1 ILE A 150 3.437 76.495 16.482 1.00 0.00 ATOM 1176 CG2 ILE A 150 1.580 76.129 14.795 1.00 0.00 ATOM 1177 CD1 ILE A 150 2.669 76.145 17.746 1.00 0.00 ATOM 1178 O ILE A 150 3.428 73.404 13.305 1.00 0.00 ATOM 1179 C ILE A 150 2.619 73.868 14.112 1.00 0.00 ATOM 1180 N LYS A 151 1.332 74.053 13.834 1.00 0.00 ATOM 1181 CA LYS A 151 0.768 73.788 12.515 1.00 0.00 ATOM 1182 CB LYS A 151 -0.760 73.781 12.608 1.00 0.00 ATOM 1183 CG LYS A 151 -1.293 72.810 13.655 1.00 0.00 ATOM 1184 CD LYS A 151 -2.792 72.986 13.888 1.00 0.00 ATOM 1185 CE LYS A 151 -3.285 72.109 15.035 1.00 0.00 ATOM 1186 NZ LYS A 151 -4.723 72.357 15.357 1.00 0.00 ATOM 1187 O LYS A 151 1.690 75.934 11.960 1.00 0.00 ATOM 1188 C LYS A 151 1.342 74.825 11.545 1.00 0.00 ATOM 1189 N PRO A 152 1.334 74.522 10.294 1.00 0.00 ATOM 1190 CA PRO A 152 0.916 73.308 9.593 1.00 0.00 ATOM 1191 CB PRO A 152 0.521 73.848 8.232 1.00 0.00 ATOM 1192 CG PRO A 152 1.628 74.849 7.979 1.00 0.00 ATOM 1193 CD PRO A 152 1.766 75.553 9.325 1.00 0.00 ATOM 1194 O PRO A 152 2.019 71.466 8.522 1.00 0.00 ATOM 1195 C PRO A 152 2.004 72.232 9.488 1.00 0.00 ATOM 1196 N HIS A 153 2.913 72.168 10.456 1.00 0.00 ATOM 1197 CA HIS A 153 3.950 71.141 10.434 1.00 0.00 ATOM 1198 CB HIS A 153 4.926 71.338 11.597 1.00 0.00 ATOM 1199 CG HIS A 153 6.175 70.520 11.483 1.00 0.00 ATOM 1200 CD2 HIS A 153 7.553 70.779 11.092 1.00 0.00 ATOM 1201 ND1 HIS A 153 6.214 69.176 11.782 1.00 0.00 ATOM 1202 CE1 HIS A 153 7.463 68.719 11.585 1.00 0.00 ATOM 1203 NE2 HIS A 153 8.272 69.676 11.171 1.00 0.00 ATOM 1204 O HIS A 153 2.342 69.636 11.385 1.00 0.00 ATOM 1205 C HIS A 153 3.187 69.817 10.512 1.00 0.00 ATOM 1206 N PRO A 154 3.449 68.917 9.583 1.00 0.00 ATOM 1207 CA PRO A 154 2.766 67.619 9.577 1.00 0.00 ATOM 1208 CB PRO A 154 3.522 66.836 8.507 1.00 0.00 ATOM 1209 CG PRO A 154 3.949 67.903 7.555 1.00 0.00 ATOM 1210 CD PRO A 154 4.418 69.003 8.477 1.00 0.00 ATOM 1211 O PRO A 154 1.998 66.003 11.197 1.00 0.00 ATOM 1212 C PRO A 154 2.873 66.827 10.883 1.00 0.00 ATOM 1213 N ALA A 155 3.956 67.008 11.815 1.00 0.00 ATOM 1214 CA ALA A 155 4.084 66.318 13.077 1.00 0.00 ATOM 1215 CB ALA A 155 5.397 66.667 13.760 1.00 0.00 ATOM 1216 O ALA A 155 2.308 65.663 14.524 1.00 0.00 ATOM 1217 C ALA A 155 2.839 66.613 13.907 1.00 0.00 ATOM 1218 N PRO A 156 2.364 67.812 13.918 1.00 0.00 ATOM 1219 CA PRO A 156 1.147 68.040 14.756 1.00 0.00 ATOM 1220 CB PRO A 156 0.904 69.535 14.578 1.00 0.00 ATOM 1221 CG PRO A 156 2.265 70.111 14.346 1.00 0.00 ATOM 1222 CD PRO A 156 2.945 69.094 13.474 1.00 0.00 ATOM 1223 O PRO A 156 -0.860 66.772 15.105 1.00 0.00 ATOM 1224 C PRO A 156 -0.075 67.252 14.296 1.00 0.00 ATOM 1225 N PHE A 157 -0.202 67.075 12.988 1.00 0.00 ATOM 1226 CA PHE A 157 -1.329 66.340 12.429 1.00 0.00 ATOM 1227 CB PHE A 157 -1.357 66.480 10.907 1.00 0.00 ATOM 1228 CG PHE A 157 -1.879 67.805 10.428 1.00 0.00 ATOM 1229 CD1 PHE A 157 -1.009 68.797 10.008 1.00 0.00 ATOM 1230 CD2 PHE A 157 -3.239 68.061 10.399 1.00 0.00 ATOM 1231 CE1 PHE A 157 -1.488 70.016 9.568 1.00 0.00 ATOM 1232 CE2 PHE A 157 -3.718 69.280 9.960 1.00 0.00 ATOM 1233 CZ PHE A 157 -2.850 70.256 9.546 1.00 0.00 ATOM 1234 O PHE A 157 -2.300 64.204 12.943 1.00 0.00 ATOM 1235 C PHE A 157 -1.269 64.843 12.752 1.00 0.00 ATOM 1236 N TYR A 158 -0.062 64.283 12.790 1.00 0.00 ATOM 1237 CA TYR A 158 0.126 62.868 13.103 1.00 0.00 ATOM 1238 CB TYR A 158 1.603 62.486 12.982 1.00 0.00 ATOM 1239 CG TYR A 158 1.890 61.040 13.319 1.00 0.00 ATOM 1240 CD1 TYR A 158 1.621 60.030 12.404 1.00 0.00 ATOM 1241 CD2 TYR A 158 2.430 60.690 14.550 1.00 0.00 ATOM 1242 CE1 TYR A 158 1.880 58.705 12.703 1.00 0.00 ATOM 1243 CE2 TYR A 158 2.696 59.371 14.866 1.00 0.00 ATOM 1244 CZ TYR A 158 2.415 58.377 13.930 1.00 0.00 ATOM 1245 OH TYR A 158 2.675 57.059 14.229 1.00 0.00 ATOM 1246 O TYR A 158 -0.905 61.573 14.819 1.00 0.00 ATOM 1247 C TYR A 158 -0.339 62.616 14.513 1.00 0.00 ATOM 1248 N TYR A 159 -0.061 63.578 15.378 1.00 0.00 ATOM 1249 CA TYR A 159 -0.444 63.505 16.774 1.00 0.00 ATOM 1250 CB TYR A 159 -0.067 64.798 17.501 1.00 0.00 ATOM 1251 CG TYR A 159 -0.469 64.821 18.958 1.00 0.00 ATOM 1252 CD1 TYR A 159 0.293 64.166 19.917 1.00 0.00 ATOM 1253 CD2 TYR A 159 -1.609 65.496 19.370 1.00 0.00 ATOM 1254 CE1 TYR A 159 -0.067 64.182 21.252 1.00 0.00 ATOM 1255 CE2 TYR A 159 -1.986 65.523 20.700 1.00 0.00 ATOM 1256 CZ TYR A 159 -1.203 64.858 21.641 1.00 0.00 ATOM 1257 OH TYR A 159 -1.563 64.875 22.970 1.00 0.00 ATOM 1258 O TYR A 159 -2.459 62.466 17.615 1.00 0.00 ATOM 1259 C TYR A 159 -1.965 63.319 16.872 1.00 0.00 ATOM 1260 N LEU A 160 -2.713 64.115 16.143 1.00 0.00 ATOM 1261 CA LEU A 160 -4.163 63.979 16.089 1.00 0.00 ATOM 1262 CB LEU A 160 -4.608 64.623 14.619 1.00 0.00 ATOM 1263 CG LEU A 160 -6.067 65.005 14.283 1.00 0.00 ATOM 1264 CD1 LEU A 160 -6.364 66.435 14.741 1.00 0.00 ATOM 1265 CD2 LEU A 160 -6.307 64.887 12.779 1.00 0.00 ATOM 1266 O LEU A 160 -5.356 61.892 16.208 1.00 0.00 ATOM 1267 C LEU A 160 -4.502 62.575 15.601 1.00 0.00 ATOM 1268 N CYS A 161 -3.834 62.139 14.562 1.00 0.00 ATOM 1269 CA CYS A 161 -4.073 60.792 14.028 1.00 0.00 ATOM 1270 CB CYS A 161 -3.191 60.582 12.796 1.00 0.00 ATOM 1271 SG CYS A 161 -3.612 61.633 11.387 1.00 0.00 ATOM 1272 O CYS A 161 -4.574 58.712 15.134 1.00 0.00 ATOM 1273 C CYS A 161 -3.795 59.659 15.025 1.00 0.00 ATOM 1274 N GLY A 162 -2.694 59.778 15.762 1.00 0.00 ATOM 1275 CA GLY A 162 -2.290 58.784 16.750 1.00 0.00 ATOM 1276 O GLY A 162 -3.517 57.658 18.471 1.00 0.00 ATOM 1277 C GLY A 162 -3.174 58.739 17.981 1.00 0.00 ATOM 1278 N LYS A 163 -3.541 59.907 18.503 1.00 0.00 ATOM 1279 CA LYS A 163 -4.395 59.984 19.679 1.00 0.00 ATOM 1280 CB LYS A 163 -4.572 61.437 20.124 1.00 0.00 ATOM 1281 CG LYS A 163 -5.397 61.605 21.389 1.00 0.00 ATOM 1282 CD LYS A 163 -4.667 61.050 22.602 1.00 0.00 ATOM 1283 CE LYS A 163 -5.431 61.336 23.884 1.00 0.00 ATOM 1284 NZ LYS A 163 -4.723 60.807 25.083 1.00 0.00 ATOM 1285 O LYS A 163 -6.423 58.972 20.384 1.00 0.00 ATOM 1286 C LYS A 163 -5.809 59.471 19.450 1.00 0.00 ATOM 1287 N PHE A 164 -6.299 59.586 18.196 1.00 0.00 ATOM 1288 CA PHE A 164 -7.641 59.106 17.865 1.00 0.00 ATOM 1289 CB PHE A 164 -8.179 59.874 16.655 1.00 0.00 ATOM 1290 CG PHE A 164 -8.449 61.326 16.930 1.00 0.00 ATOM 1291 CD1 PHE A 164 -8.558 61.790 18.229 1.00 0.00 ATOM 1292 CD2 PHE A 164 -8.597 62.226 15.889 1.00 0.00 ATOM 1293 CE1 PHE A 164 -8.807 63.125 18.481 1.00 0.00 ATOM 1294 CE2 PHE A 164 -8.846 63.562 16.142 1.00 0.00 ATOM 1295 CZ PHE A 164 -8.951 64.013 17.431 1.00 0.00 ATOM 1296 O PHE A 164 -8.765 57.060 17.367 1.00 0.00 ATOM 1297 C PHE A 164 -7.686 57.628 17.496 1.00 0.00 ATOM 1298 N GLY A 165 -6.523 57.025 17.274 1.00 0.00 ATOM 1299 CA GLY A 165 -6.470 55.619 16.912 1.00 0.00 ATOM 1300 O GLY A 165 -7.537 54.195 15.313 1.00 0.00 ATOM 1301 C GLY A 165 -7.113 55.326 15.567 1.00 0.00 ATOM 1302 N LEU A 166 -7.254 56.364 14.724 1.00 0.00 ATOM 1303 CA LEU A 166 -7.843 56.179 13.401 1.00 0.00 ATOM 1304 CB LEU A 166 -9.137 56.992 13.342 1.00 0.00 ATOM 1305 CG LEU A 166 -10.232 56.600 14.336 1.00 0.00 ATOM 1306 CD1 LEU A 166 -11.383 57.592 14.287 1.00 0.00 ATOM 1307 CD2 LEU A 166 -10.780 55.217 14.013 1.00 0.00 ATOM 1308 O LEU A 166 -5.921 57.397 12.627 1.00 0.00 ATOM 1309 C LEU A 166 -6.886 56.685 12.328 1.00 0.00 ATOM 1310 N TYR A 167 -7.154 56.304 11.081 1.00 0.00 ATOM 1311 CA TYR A 167 -6.357 56.765 9.958 1.00 0.00 ATOM 1312 CB TYR A 167 -6.481 55.796 8.780 1.00 0.00 ATOM 1313 CG TYR A 167 -5.771 54.477 8.995 1.00 0.00 ATOM 1314 CD1 TYR A 167 -6.469 53.354 9.414 1.00 0.00 ATOM 1315 CD2 TYR A 167 -4.404 54.364 8.775 1.00 0.00 ATOM 1316 CE1 TYR A 167 -5.828 52.146 9.612 1.00 0.00 ATOM 1317 CE2 TYR A 167 -3.746 53.163 8.968 1.00 0.00 ATOM 1318 CZ TYR A 167 -4.471 52.050 9.389 1.00 0.00 ATOM 1319 OH TYR A 167 -3.832 50.847 9.586 1.00 0.00 ATOM 1320 O TYR A 167 -8.104 58.399 9.762 1.00 0.00 ATOM 1321 C TYR A 167 -6.912 58.144 9.585 1.00 0.00 ATOM 1322 N PRO A 168 -6.065 59.007 9.023 1.00 0.00 ATOM 1323 CA PRO A 168 -6.467 60.366 8.644 1.00 0.00 ATOM 1324 CB PRO A 168 -5.246 60.922 7.910 1.00 0.00 ATOM 1325 CG PRO A 168 -4.085 60.211 8.522 1.00 0.00 ATOM 1326 CD PRO A 168 -4.537 58.796 8.751 1.00 0.00 ATOM 1327 O PRO A 168 -8.506 61.364 7.901 1.00 0.00 ATOM 1328 C PRO A 168 -7.694 60.464 7.737 1.00 0.00 ATOM 1329 N LYS A 169 -7.850 59.533 6.806 1.00 0.00 ATOM 1330 CA LYS A 169 -8.990 59.566 5.896 1.00 0.00 ATOM 1331 CB LYS A 169 -8.856 58.480 4.828 1.00 0.00 ATOM 1332 CG LYS A 169 -7.703 58.699 3.862 1.00 0.00 ATOM 1333 CD LYS A 169 -7.634 57.591 2.824 1.00 0.00 ATOM 1334 CE LYS A 169 -6.488 57.815 1.851 1.00 0.00 ATOM 1335 NZ LYS A 169 -6.401 56.731 0.835 1.00 0.00 ATOM 1336 O LYS A 169 -11.320 59.928 6.202 1.00 0.00 ATOM 1337 C LYS A 169 -10.311 59.417 6.653 1.00 0.00 ATOM 1338 N GLN A 170 -10.268 58.813 7.845 1.00 0.00 ATOM 1339 CA GLN A 170 -11.486 58.623 8.618 1.00 0.00 ATOM 1340 CB GLN A 170 -11.412 57.234 9.258 1.00 0.00 ATOM 1341 CG GLN A 170 -11.349 56.093 8.257 1.00 0.00 ATOM 1342 CD GLN A 170 -11.229 54.737 8.925 1.00 0.00 ATOM 1343 OE1 GLN A 170 -11.133 54.644 10.150 1.00 0.00 ATOM 1344 NE2 GLN A 170 -11.234 53.680 8.122 1.00 0.00 ATOM 1345 O GLN A 170 -12.733 59.734 10.308 1.00 0.00 ATOM 1346 C GLN A 170 -11.709 59.724 9.627 1.00 0.00 ATOM 1347 N ILE A 171 -10.750 60.751 9.642 1.00 0.00 ATOM 1348 CA ILE A 171 -10.904 61.861 10.593 1.00 0.00 ATOM 1349 CB ILE A 171 -9.595 61.992 11.395 1.00 0.00 ATOM 1350 CG1 ILE A 171 -9.298 60.693 12.148 1.00 0.00 ATOM 1351 CG2 ILE A 171 -9.703 63.122 12.408 1.00 0.00 ATOM 1352 CD1 ILE A 171 -7.943 60.673 12.819 1.00 0.00 ATOM 1353 O ILE A 171 -10.517 63.429 8.819 1.00 0.00 ATOM 1354 C ILE A 171 -11.235 63.098 9.763 1.00 0.00 ATOM 1355 N LEU A 172 -12.289 63.785 10.123 1.00 0.00 ATOM 1356 CA LEU A 172 -12.676 65.000 9.415 1.00 0.00 ATOM 1357 CB LEU A 172 -14.185 65.244 9.490 1.00 0.00 ATOM 1358 CG LEU A 172 -14.704 66.506 8.800 1.00 0.00 ATOM 1359 CD1 LEU A 172 -14.495 66.422 7.295 1.00 0.00 ATOM 1360 CD2 LEU A 172 -16.190 66.691 9.066 1.00 0.00 ATOM 1361 O LEU A 172 -12.135 66.286 11.371 1.00 0.00 ATOM 1362 C LEU A 172 -11.970 66.127 10.157 1.00 0.00 ATOM 1363 N PHE A 173 -11.171 66.892 9.426 1.00 0.00 ATOM 1364 CA PHE A 173 -10.452 68.024 9.986 1.00 0.00 ATOM 1365 CB PHE A 173 -9.093 68.194 9.304 1.00 0.00 ATOM 1366 CG PHE A 173 -8.235 69.263 9.919 1.00 0.00 ATOM 1367 CD1 PHE A 173 -7.513 69.013 11.072 1.00 0.00 ATOM 1368 CD2 PHE A 173 -8.150 70.519 9.342 1.00 0.00 ATOM 1369 CE1 PHE A 173 -6.724 69.996 11.637 1.00 0.00 ATOM 1370 CE2 PHE A 173 -7.360 71.502 9.908 1.00 0.00 ATOM 1371 CZ PHE A 173 -6.649 71.245 11.050 1.00 0.00 ATOM 1372 O PHE A 173 -11.522 69.700 8.647 1.00 0.00 ATOM 1373 C PHE A 173 -11.296 69.277 9.781 1.00 0.00 ATOM 1374 N VAL A 174 -11.798 69.840 10.873 1.00 0.00 ATOM 1375 CA VAL A 174 -12.637 71.027 10.819 1.00 0.00 ATOM 1376 CB VAL A 174 -13.899 70.854 11.686 1.00 0.00 ATOM 1377 CG1 VAL A 174 -14.745 72.118 11.651 1.00 0.00 ATOM 1378 CG2 VAL A 174 -14.742 69.697 11.174 1.00 0.00 ATOM 1379 O VAL A 174 -11.387 72.269 12.444 1.00 0.00 ATOM 1380 C VAL A 174 -11.892 72.257 11.324 1.00 0.00 ATOM 1381 N GLY A 175 -11.847 73.304 10.508 1.00 0.00 ATOM 1382 CA GLY A 175 -11.153 74.523 10.896 1.00 0.00 ATOM 1383 O GLY A 175 -12.302 75.660 9.141 1.00 0.00 ATOM 1384 C GLY A 175 -11.699 75.735 10.202 1.00 0.00 ATOM 1385 N ASP A 176 -11.530 76.886 10.846 1.00 0.00 ATOM 1386 CA ASP A 176 -11.997 78.176 10.321 1.00 0.00 ATOM 1387 CB ASP A 176 -12.513 79.088 11.435 1.00 0.00 ATOM 1388 CG ASP A 176 -11.450 79.405 12.468 1.00 0.00 ATOM 1389 OD1 ASP A 176 -10.848 78.456 13.012 1.00 0.00 ATOM 1390 OD2 ASP A 176 -11.219 80.604 12.733 1.00 0.00 ATOM 1391 O ASP A 176 -11.096 79.417 8.477 1.00 0.00 ATOM 1392 C ASP A 176 -10.868 78.731 9.470 1.00 0.00 ATOM 1393 N SER A 177 -9.585 78.434 9.926 1.00 0.00 ATOM 1394 CA SER A 177 -8.421 78.940 9.228 1.00 0.00 ATOM 1395 CB SER A 177 -7.163 78.701 10.037 1.00 0.00 ATOM 1396 OG SER A 177 -6.044 79.146 9.289 1.00 0.00 ATOM 1397 O SER A 177 -7.971 77.017 7.867 1.00 0.00 ATOM 1398 C SER A 177 -8.185 78.239 7.912 1.00 0.00 ATOM 1399 N GLN A 178 -8.120 78.958 6.840 1.00 0.00 ATOM 1400 CA GLN A 178 -7.779 78.405 5.535 1.00 0.00 ATOM 1401 CB GLN A 178 -7.452 79.817 4.644 1.00 0.00 ATOM 1402 CG GLN A 178 -7.550 79.872 3.165 1.00 0.00 ATOM 1403 CD GLN A 178 -6.826 81.108 2.649 1.00 0.00 ATOM 1404 OE1 GLN A 178 -7.196 82.235 2.993 1.00 0.00 ATOM 1405 NE2 GLN A 178 -5.753 80.897 1.896 1.00 0.00 ATOM 1406 O GLN A 178 -6.126 76.873 4.700 1.00 0.00 ATOM 1407 C GLN A 178 -6.355 77.855 5.413 1.00 0.00 ATOM 1408 N ASN A 179 -5.397 78.498 6.078 1.00 0.00 ATOM 1409 CA ASN A 179 -4.005 78.050 6.030 1.00 0.00 ATOM 1410 CB ASN A 179 -3.094 79.060 6.728 1.00 0.00 ATOM 1411 CG ASN A 179 -2.860 80.306 5.897 1.00 0.00 ATOM 1412 ND2 ASN A 179 -3.328 81.445 6.397 1.00 0.00 ATOM 1413 OD1 ASN A 179 -2.266 80.245 4.822 1.00 0.00 ATOM 1414 O ASN A 179 -3.131 75.835 6.248 1.00 0.00 ATOM 1415 C ASN A 179 -3.867 76.697 6.719 1.00 0.00 ATOM 1416 N ASP A 180 -4.655 76.493 7.774 1.00 0.00 ATOM 1417 CA ASP A 180 -4.646 75.248 8.539 1.00 0.00 ATOM 1418 CB ASP A 180 -5.369 75.438 9.875 1.00 0.00 ATOM 1419 CG ASP A 180 -4.578 76.291 10.848 1.00 0.00 ATOM 1420 OD1 ASP A 180 -3.373 76.507 10.604 1.00 0.00 ATOM 1421 OD2 ASP A 180 -5.165 76.744 11.854 1.00 0.00 ATOM 1422 O ASP A 180 -4.907 73.005 7.757 1.00 0.00 ATOM 1423 C ASP A 180 -5.347 74.145 7.754 1.00 0.00 ATOM 1424 N ILE A 181 -6.433 74.500 7.075 1.00 0.00 ATOM 1425 CA ILE A 181 -7.188 73.559 6.250 1.00 0.00 ATOM 1426 CB ILE A 181 -8.517 74.098 5.734 1.00 0.00 ATOM 1427 CG1 ILE A 181 -8.309 75.415 4.999 1.00 0.00 ATOM 1428 CG2 ILE A 181 -9.482 74.247 6.889 1.00 0.00 ATOM 1429 CD1 ILE A 181 -9.549 75.862 4.284 1.00 0.00 ATOM 1430 O ILE A 181 -6.443 71.992 4.578 1.00 0.00 ATOM 1431 C ILE A 181 -6.315 73.107 5.076 1.00 0.00 ATOM 1432 N PHE A 182 -5.410 73.977 4.652 1.00 0.00 ATOM 1433 CA PHE A 182 -4.497 73.654 3.567 1.00 0.00 ATOM 1434 CB PHE A 182 -3.795 74.881 3.030 1.00 0.00 ATOM 1435 CG PHE A 182 -2.835 74.599 1.913 1.00 0.00 ATOM 1436 CD1 PHE A 182 -3.294 74.335 0.634 1.00 0.00 ATOM 1437 CD2 PHE A 182 -1.469 74.589 2.144 1.00 0.00 ATOM 1438 CE1 PHE A 182 -2.406 74.076 -0.400 1.00 0.00 ATOM 1439 CE2 PHE A 182 -0.578 74.331 1.113 1.00 0.00 ATOM 1440 CZ PHE A 182 -1.048 74.071 -0.155 1.00 0.00 ATOM 1441 O PHE A 182 -3.160 71.635 3.420 1.00 0.00 ATOM 1442 C PHE A 182 -3.505 72.619 4.107 1.00 0.00 ATOM 1443 N ALA A 183 -2.990 72.882 5.304 1.00 0.00 ATOM 1444 CA ALA A 183 -2.015 71.969 5.894 1.00 0.00 ATOM 1445 CB ALA A 183 -1.529 72.474 7.231 1.00 0.00 ATOM 1446 O ALA A 183 -2.086 69.572 5.696 1.00 0.00 ATOM 1447 C ALA A 183 -2.652 70.589 6.091 1.00 0.00 ATOM 1448 N ALA A 184 -3.822 70.564 6.687 1.00 0.00 ATOM 1449 CA ALA A 184 -4.513 69.297 6.919 1.00 0.00 ATOM 1450 CB ALA A 184 -5.855 69.582 7.577 1.00 0.00 ATOM 1451 O ALA A 184 -4.664 67.378 5.478 1.00 0.00 ATOM 1452 C ALA A 184 -4.829 68.605 5.592 1.00 0.00 ATOM 1453 N HIS A 185 -5.278 69.354 4.593 1.00 0.00 ATOM 1454 CA HIS A 185 -5.582 68.767 3.316 1.00 0.00 ATOM 1455 CB HIS A 185 -6.032 69.889 2.379 1.00 0.00 ATOM 1456 CG HIS A 185 -6.357 69.424 0.993 1.00 0.00 ATOM 1457 CD2 HIS A 185 -5.731 69.545 -0.315 1.00 0.00 ATOM 1458 ND1 HIS A 185 -7.486 68.690 0.699 1.00 0.00 ATOM 1459 CE1 HIS A 185 -7.503 68.422 -0.620 1.00 0.00 ATOM 1460 NE2 HIS A 185 -6.453 68.933 -1.235 1.00 0.00 ATOM 1461 O HIS A 185 -4.471 67.029 2.078 1.00 0.00 ATOM 1462 C HIS A 185 -4.363 68.094 2.699 1.00 0.00 ATOM 1463 N SER A 186 -3.174 68.699 2.865 1.00 0.00 ATOM 1464 CA SER A 186 -1.943 68.130 2.319 1.00 0.00 ATOM 1465 CB SER A 186 -0.790 69.128 2.442 1.00 0.00 ATOM 1466 OG SER A 186 -1.009 70.265 1.624 1.00 0.00 ATOM 1467 O SER A 186 -1.097 65.883 2.465 1.00 0.00 ATOM 1468 C SER A 186 -1.543 66.865 3.056 1.00 0.00 ATOM 1469 N ALA A 187 -1.769 66.858 4.394 1.00 0.00 ATOM 1470 CA ALA A 187 -1.447 65.729 5.247 1.00 0.00 ATOM 1471 CB ALA A 187 -1.779 66.063 6.693 1.00 0.00 ATOM 1472 O ALA A 187 -1.690 63.385 4.799 1.00 0.00 ATOM 1473 C ALA A 187 -2.244 64.482 4.856 1.00 0.00 ATOM 1474 N GLY A 188 -3.543 64.650 4.606 1.00 0.00 ATOM 1475 CA GLY A 188 -4.378 63.524 4.227 1.00 0.00 ATOM 1476 O GLY A 188 -6.633 62.723 4.402 1.00 0.00 ATOM 1477 C GLY A 188 -5.785 63.529 4.803 1.00 0.00 ATOM 1478 N CYS A 189 -6.034 64.425 5.751 1.00 0.00 ATOM 1479 CA CYS A 189 -7.345 64.538 6.391 1.00 0.00 ATOM 1480 CB CYS A 189 -7.135 65.098 7.788 1.00 0.00 ATOM 1481 SG CYS A 189 -6.046 64.086 8.839 1.00 0.00 ATOM 1482 O CYS A 189 -8.130 66.177 4.818 1.00 0.00 ATOM 1483 C CYS A 189 -8.398 65.179 5.479 1.00 0.00 ATOM 1484 N ALA A 190 -9.598 64.522 5.432 1.00 0.00 ATOM 1485 CA ALA A 190 -10.706 65.082 4.667 1.00 0.00 ATOM 1486 CB ALA A 190 -11.912 64.155 4.671 1.00 0.00 ATOM 1487 O ALA A 190 -11.149 66.461 6.598 1.00 0.00 ATOM 1488 C ALA A 190 -10.959 66.425 5.380 1.00 0.00 ATOM 1489 N VAL A 191 -11.000 67.521 4.644 1.00 0.00 ATOM 1490 CA VAL A 191 -11.135 68.823 5.280 1.00 0.00 ATOM 1491 CB VAL A 191 -10.069 69.806 4.760 1.00 0.00 ATOM 1492 CG1 VAL A 191 -10.258 71.177 5.390 1.00 0.00 ATOM 1493 CG2 VAL A 191 -8.674 69.308 5.100 1.00 0.00 ATOM 1494 O VAL A 191 -12.941 69.771 4.008 1.00 0.00 ATOM 1495 C VAL A 191 -12.427 69.612 5.117 1.00 0.00 ATOM 1496 N VAL A 192 -12.888 70.173 6.228 1.00 0.00 ATOM 1497 CA VAL A 192 -14.100 70.979 6.271 1.00 0.00 ATOM 1498 CB VAL A 192 -15.133 70.378 7.242 1.00 0.00 ATOM 1499 CG1 VAL A 192 -16.384 71.243 7.291 1.00 0.00 ATOM 1500 CG2 VAL A 192 -15.532 68.980 6.796 1.00 0.00 ATOM 1501 O VAL A 192 -13.394 72.610 7.901 1.00 0.00 ATOM 1502 C VAL A 192 -13.761 72.401 6.739 1.00 0.00 ATOM 1503 N GLY A 193 -13.855 73.374 5.834 1.00 0.00 ATOM 1504 CA GLY A 193 -13.556 74.743 6.162 1.00 0.00 ATOM 1505 O GLY A 193 -15.770 75.556 5.889 1.00 0.00 ATOM 1506 C GLY A 193 -14.755 75.551 6.588 1.00 0.00 ATOM 1507 N LEU A 194 -14.615 76.301 7.676 1.00 0.00 ATOM 1508 CA LEU A 194 -15.627 77.311 8.040 1.00 0.00 ATOM 1509 CB LEU A 194 -15.916 77.255 9.542 1.00 0.00 ATOM 1510 CG LEU A 194 -16.375 75.903 10.093 1.00 0.00 ATOM 1511 CD1 LEU A 194 -16.553 75.972 11.602 1.00 0.00 ATOM 1512 CD2 LEU A 194 -17.702 75.493 9.474 1.00 0.00 ATOM 1513 O LEU A 194 -13.962 78.995 7.612 1.00 0.00 ATOM 1514 C LEU A 194 -15.168 78.726 7.704 1.00 0.00 ATOM 1515 N THR A 195 -16.139 79.626 7.550 1.00 0.00 ATOM 1516 CA THR A 195 -15.889 80.965 7.023 1.00 0.00 ATOM 1517 CB THR A 195 -17.005 81.411 6.062 1.00 0.00 ATOM 1518 CG2 THR A 195 -17.098 80.463 4.877 1.00 0.00 ATOM 1519 OG1 THR A 195 -18.261 81.417 6.753 1.00 0.00 ATOM 1520 O THR A 195 -15.828 83.227 7.773 1.00 0.00 ATOM 1521 C THR A 195 -15.801 82.038 8.094 1.00 0.00 ATOM 1522 N TYR A 196 -15.686 81.614 9.351 1.00 0.00 ATOM 1523 CA TYR A 196 -15.739 82.506 10.513 1.00 0.00 ATOM 1524 CB TYR A 196 -16.307 81.770 11.730 1.00 0.00 ATOM 1525 CG TYR A 196 -17.759 81.375 11.583 1.00 0.00 ATOM 1526 CD1 TYR A 196 -18.540 81.903 10.562 1.00 0.00 ATOM 1527 CD2 TYR A 196 -18.344 80.477 12.465 1.00 0.00 ATOM 1528 CE1 TYR A 196 -19.868 81.547 10.420 1.00 0.00 ATOM 1529 CE2 TYR A 196 -19.670 80.109 12.340 1.00 0.00 ATOM 1530 CZ TYR A 196 -20.432 80.653 11.306 1.00 0.00 ATOM 1531 OH TYR A 196 -21.754 80.297 11.167 1.00 0.00 ATOM 1532 O TYR A 196 -14.343 83.970 11.810 1.00 0.00 ATOM 1533 C TYR A 196 -14.392 83.069 10.955 1.00 0.00 ATOM 1534 N GLY A 197 -13.302 82.523 10.419 1.00 0.00 ATOM 1535 CA GLY A 197 -11.966 82.850 10.923 1.00 0.00 ATOM 1536 O GLY A 197 -11.515 83.644 8.681 1.00 0.00 ATOM 1537 C GLY A 197 -11.074 83.146 9.706 1.00 0.00 ATOM 1538 N TYR A 198 -9.715 82.744 9.825 1.00 0.00 ATOM 1539 CA TYR A 198 -8.814 83.051 8.739 1.00 0.00 ATOM 1540 CB TYR A 198 -7.569 82.167 8.848 1.00 0.00 ATOM 1541 CG TYR A 198 -6.775 82.381 10.118 1.00 0.00 ATOM 1542 CD1 TYR A 198 -6.796 81.436 11.136 1.00 0.00 ATOM 1543 CD2 TYR A 198 -6.010 83.526 10.294 1.00 0.00 ATOM 1544 CE1 TYR A 198 -6.075 81.622 12.300 1.00 0.00 ATOM 1545 CE2 TYR A 198 -5.282 83.729 11.451 1.00 0.00 ATOM 1546 CZ TYR A 198 -5.320 82.764 12.458 1.00 0.00 ATOM 1547 OH TYR A 198 -4.601 82.953 13.616 1.00 0.00 ATOM 1548 O TYR A 198 -8.641 83.833 6.489 1.00 0.00 ATOM 1549 C TYR A 198 -9.203 83.053 7.271 1.00 0.00 ATOM 1550 N ASN A 199 -10.149 82.190 6.901 1.00 0.00 ATOM 1551 CA ASN A 199 -10.519 81.993 5.499 1.00 0.00 ATOM 1552 CB ASN A 199 -10.700 80.487 5.185 1.00 0.00 ATOM 1553 CG ASN A 199 -10.859 80.165 3.699 1.00 0.00 ATOM 1554 ND2 ASN A 199 -10.288 79.028 3.259 1.00 0.00 ATOM 1555 OD1 ASN A 199 -11.555 80.865 2.994 1.00 0.00 ATOM 1556 O ASN A 199 -12.867 82.519 5.687 1.00 0.00 ATOM 1557 C ASN A 199 -11.814 82.679 5.051 1.00 0.00 ATOM 1558 N TYR A 200 -11.706 83.441 3.957 1.00 0.00 ATOM 1559 CA TYR A 200 -12.852 84.053 3.288 1.00 0.00 ATOM 1560 CB TYR A 200 -12.570 85.526 2.982 1.00 0.00 ATOM 1561 CG TYR A 200 -12.401 86.386 4.214 1.00 0.00 ATOM 1562 CD1 TYR A 200 -11.139 86.628 4.744 1.00 0.00 ATOM 1563 CD2 TYR A 200 -13.502 86.952 4.843 1.00 0.00 ATOM 1564 CE1 TYR A 200 -10.975 87.413 5.869 1.00 0.00 ATOM 1565 CE2 TYR A 200 -13.356 87.739 5.969 1.00 0.00 ATOM 1566 CZ TYR A 200 -12.079 87.967 6.480 1.00 0.00 ATOM 1567 OH TYR A 200 -11.918 88.748 7.601 1.00 0.00 ATOM 1568 O TYR A 200 -12.332 82.560 1.473 1.00 0.00 ATOM 1569 C TYR A 200 -13.159 83.336 1.964 1.00 0.00 ATOM 1570 N ASN A 201 -14.355 83.532 1.408 1.00 0.00 ATOM 1571 CA ASN A 201 -14.689 83.002 0.089 1.00 0.00 ATOM 1572 CB ASN A 201 -16.120 83.505 -0.305 1.00 0.00 ATOM 1573 CG ASN A 201 -16.669 82.851 -1.562 1.00 0.00 ATOM 1574 ND2 ASN A 201 -16.810 83.623 -2.637 1.00 0.00 ATOM 1575 OD1 ASN A 201 -16.964 81.660 -1.562 1.00 0.00 ATOM 1576 O ASN A 201 -13.610 82.457 -1.982 1.00 0.00 ATOM 1577 C ASN A 201 -13.775 83.296 -1.091 1.00 0.00 ATOM 1578 N ILE A 202 -13.168 84.501 -1.090 1.00 0.00 ATOM 1579 CA ILE A 202 -12.252 84.860 -2.167 1.00 0.00 ATOM 1580 CB ILE A 202 -11.867 86.395 -1.861 1.00 0.00 ATOM 1581 CG1 ILE A 202 -13.095 87.270 -2.154 1.00 0.00 ATOM 1582 CG2 ILE A 202 -10.660 86.822 -2.691 1.00 0.00 ATOM 1583 CD1 ILE A 202 -12.911 88.727 -1.698 1.00 0.00 ATOM 1584 O ILE A 202 -10.421 83.662 -3.173 1.00 0.00 ATOM 1585 C ILE A 202 -11.023 83.946 -2.137 1.00 0.00 ATOM 1586 N PRO A 203 -10.647 83.484 -0.951 1.00 0.00 ATOM 1587 CA PRO A 203 -9.498 82.594 -0.834 1.00 0.00 ATOM 1588 CB PRO A 203 -9.033 82.621 0.561 1.00 0.00 ATOM 1589 CG PRO A 203 -9.402 83.990 1.004 1.00 0.00 ATOM 1590 CD PRO A 203 -10.792 84.174 0.418 1.00 0.00 ATOM 1591 O PRO A 203 -9.143 80.538 -2.045 1.00 0.00 ATOM 1592 C PRO A 203 -9.877 81.183 -1.293 1.00 0.00 ATOM 1593 N ILE A 204 -11.020 80.703 -0.818 1.00 0.00 ATOM 1594 CA ILE A 204 -11.478 79.367 -1.163 1.00 0.00 ATOM 1595 CB ILE A 204 -12.829 79.030 -0.368 1.00 0.00 ATOM 1596 CG1 ILE A 204 -12.557 79.051 1.154 1.00 0.00 ATOM 1597 CG2 ILE A 204 -13.382 77.657 -0.780 1.00 0.00 ATOM 1598 CD1 ILE A 204 -13.823 79.102 2.009 1.00 0.00 ATOM 1599 O ILE A 204 -11.424 78.013 -3.145 1.00 0.00 ATOM 1600 C ILE A 204 -11.693 79.116 -2.657 1.00 0.00 ATOM 1601 N ALA A 205 -12.174 80.128 -3.380 1.00 0.00 ATOM 1602 CA ALA A 205 -12.427 79.986 -4.813 1.00 0.00 ATOM 1603 CB ALA A 205 -13.063 81.254 -5.407 1.00 0.00 ATOM 1604 O ALA A 205 -11.150 79.018 -6.603 1.00 0.00 ATOM 1605 C ALA A 205 -11.131 79.639 -5.538 1.00 0.00 ATOM 1606 N GLN A 206 -9.997 80.025 -4.916 1.00 0.00 ATOM 1607 CA GLN A 206 -8.697 79.769 -5.522 1.00 0.00 ATOM 1608 CB GLN A 206 -7.710 80.853 -5.226 1.00 0.00 ATOM 1609 CG GLN A 206 -7.941 82.169 -5.942 1.00 0.00 ATOM 1610 CD GLN A 206 -7.031 83.272 -5.440 1.00 0.00 ATOM 1611 OE1 GLN A 206 -5.889 83.023 -5.048 1.00 0.00 ATOM 1612 NE2 GLN A 206 -7.526 84.504 -5.463 1.00 0.00 ATOM 1613 O GLN A 206 -7.035 78.103 -5.812 1.00 0.00 ATOM 1614 C GLN A 206 -8.014 78.462 -5.166 1.00 0.00 ATOM 1615 N SER A 207 -8.536 77.742 -4.183 1.00 0.00 ATOM 1616 CA SER A 207 -7.948 76.484 -3.762 1.00 0.00 ATOM 1617 CB SER A 207 -7.108 76.693 -2.502 1.00 0.00 ATOM 1618 OG SER A 207 -6.007 77.543 -2.765 1.00 0.00 ATOM 1619 O SER A 207 -10.242 75.771 -3.535 1.00 0.00 ATOM 1620 C SER A 207 -9.047 75.456 -3.509 1.00 0.00 ATOM 1621 N LYS A 208 -8.617 74.219 -3.287 1.00 0.00 ATOM 1622 CA LYS A 208 -9.497 73.085 -3.063 1.00 0.00 ATOM 1623 CB LYS A 208 -9.078 71.898 -3.934 1.00 0.00 ATOM 1624 CG LYS A 208 -9.041 72.193 -5.420 1.00 0.00 ATOM 1625 CD LYS A 208 -10.438 72.340 -5.994 1.00 0.00 ATOM 1626 CE LYS A 208 -10.422 72.436 -7.513 1.00 0.00 ATOM 1627 NZ LYS A 208 -11.769 72.188 -8.106 1.00 0.00 ATOM 1628 O LYS A 208 -8.337 72.618 -1.015 1.00 0.00 ATOM 1629 C LYS A 208 -9.425 72.656 -1.601 1.00 0.00 ATOM 1630 N PRO A 209 -10.564 72.288 -1.013 1.00 0.00 ATOM 1631 CA PRO A 209 -10.577 71.784 0.361 1.00 0.00 ATOM 1632 CB PRO A 209 -12.038 71.956 0.771 1.00 0.00 ATOM 1633 CG PRO A 209 -12.799 71.759 -0.513 1.00 0.00 ATOM 1634 CD PRO A 209 -11.919 72.327 -1.595 1.00 0.00 ATOM 1635 O PRO A 209 -10.862 69.448 -0.115 1.00 0.00 ATOM 1636 C PRO A 209 -10.152 70.318 0.401 1.00 0.00 ATOM 1637 N ASP A 210 -12.463 70.030 1.063 1.00 0.00 ATOM 1638 CA ASP A 210 -13.429 69.072 0.534 1.00 0.00 ATOM 1639 CB ASP A 210 -13.439 67.783 1.244 1.00 0.00 ATOM 1640 CG ASP A 210 -12.148 67.015 1.081 1.00 0.00 ATOM 1641 OD1 ASP A 210 -11.377 67.244 0.135 1.00 0.00 ATOM 1642 OD2 ASP A 210 -11.882 66.116 1.920 1.00 0.00 ATOM 1643 O ASP A 210 -15.691 69.455 -0.250 1.00 0.00 ATOM 1644 C ASP A 210 -14.812 69.684 0.624 1.00 0.00 ATOM 1645 N TRP A 211 -15.052 70.302 1.817 1.00 0.00 ATOM 1646 CA TRP A 211 -16.300 71.011 2.110 1.00 0.00 ATOM 1647 CB TRP A 211 -17.086 70.174 3.120 1.00 0.00 ATOM 1648 CG TRP A 211 -17.469 68.819 2.608 1.00 0.00 ATOM 1649 CD1 TRP A 211 -16.740 67.669 2.711 1.00 0.00 ATOM 1650 CD2 TRP A 211 -18.671 68.471 1.911 1.00 0.00 ATOM 1651 CE2 TRP A 211 -18.603 67.093 1.624 1.00 0.00 ATOM 1652 CE3 TRP A 211 -19.799 69.188 1.503 1.00 0.00 ATOM 1653 NE1 TRP A 211 -17.412 66.625 2.123 1.00 0.00 ATOM 1654 CZ2 TRP A 211 -19.619 66.420 0.947 1.00 0.00 ATOM 1655 CZ3 TRP A 211 -20.804 68.517 0.832 1.00 0.00 ATOM 1656 CH2 TRP A 211 -20.711 67.148 0.559 1.00 0.00 ATOM 1657 O TRP A 211 -15.104 72.592 3.428 1.00 0.00 ATOM 1658 C TRP A 211 -16.055 72.391 2.681 1.00 0.00 ATOM 1659 N ILE A 212 -16.895 73.339 2.288 1.00 0.00 ATOM 1660 CA ILE A 212 -16.836 74.703 2.794 1.00 0.00 ATOM 1661 CB ILE A 212 -16.501 75.714 1.681 1.00 0.00 ATOM 1662 CG1 ILE A 212 -15.136 75.396 1.068 1.00 0.00 ATOM 1663 CG2 ILE A 212 -16.461 77.128 2.240 1.00 0.00 ATOM 1664 CD1 ILE A 212 -14.815 76.214 -0.164 1.00 0.00 ATOM 1665 O ILE A 212 -19.209 74.908 2.612 1.00 0.00 ATOM 1666 C ILE A 212 -18.228 74.943 3.351 1.00 0.00 ATOM 1667 N PHE A 213 -18.321 75.167 4.649 1.00 0.00 ATOM 1668 CA PHE A 213 -19.611 75.369 5.281 1.00 0.00 ATOM 1669 CB PHE A 213 -19.886 74.224 6.253 1.00 0.00 ATOM 1670 CG PHE A 213 -20.024 72.900 5.567 1.00 0.00 ATOM 1671 CD1 PHE A 213 -21.227 72.540 4.946 1.00 0.00 ATOM 1672 CD2 PHE A 213 -18.946 72.030 5.504 1.00 0.00 ATOM 1673 CE1 PHE A 213 -21.337 71.317 4.268 1.00 0.00 ATOM 1674 CE2 PHE A 213 -19.070 70.809 4.817 1.00 0.00 ATOM 1675 CZ PHE A 213 -20.256 70.470 4.211 1.00 0.00 ATOM 1676 O PHE A 213 -18.637 77.279 6.333 1.00 0.00 ATOM 1677 C PHE A 213 -19.667 76.672 6.066 1.00 0.00 ATOM 1678 N ASP A 214 -20.870 77.087 6.452 1.00 0.00 ATOM 1679 CA ASP A 214 -21.042 78.326 7.205 1.00 0.00 ATOM 1680 CB ASP A 214 -21.738 79.336 6.103 1.00 0.00 ATOM 1681 CG ASP A 214 -23.068 78.798 5.525 1.00 0.00 ATOM 1682 OD1 ASP A 214 -23.536 77.684 5.844 1.00 0.00 ATOM 1683 OD2 ASP A 214 -23.648 79.495 4.683 1.00 0.00 ATOM 1684 O ASP A 214 -20.206 78.791 9.428 1.00 0.00 ATOM 1685 C ASP A 214 -20.840 78.020 8.688 1.00 0.00 ATOM 1686 N ASP A 215 -21.471 76.791 9.298 1.00 0.00 ATOM 1687 CA ASP A 215 -21.468 76.496 10.733 1.00 0.00 ATOM 1688 CB ASP A 215 -22.825 76.984 11.244 1.00 0.00 ATOM 1689 CG ASP A 215 -23.985 76.202 10.656 1.00 0.00 ATOM 1690 OD1 ASP A 215 -23.731 75.210 9.942 1.00 0.00 ATOM 1691 OD2 ASP A 215 -25.147 76.581 10.911 1.00 0.00 ATOM 1692 O ASP A 215 -21.464 74.218 9.994 1.00 0.00 ATOM 1693 C ASP A 215 -21.455 74.993 10.951 1.00 0.00 ATOM 1694 N PHE A 216 -21.411 74.558 12.216 1.00 0.00 ATOM 1695 CA PHE A 216 -21.372 73.146 12.566 1.00 0.00 ATOM 1696 CB PHE A 216 -21.410 72.929 14.061 1.00 0.00 ATOM 1697 CG PHE A 216 -20.316 73.651 14.786 1.00 0.00 ATOM 1698 CD1 PHE A 216 -20.484 74.976 15.180 1.00 0.00 ATOM 1699 CD2 PHE A 216 -19.098 73.025 15.030 1.00 0.00 ATOM 1700 CE1 PHE A 216 -19.452 75.669 15.804 1.00 0.00 ATOM 1701 CE2 PHE A 216 -18.060 73.712 15.654 1.00 0.00 ATOM 1702 CZ PHE A 216 -18.239 75.037 16.042 1.00 0.00 ATOM 1703 O PHE A 216 -22.655 71.197 12.035 1.00 0.00 ATOM 1704 C PHE A 216 -22.663 72.416 12.207 1.00 0.00 ATOM 1705 N ALA A 217 -23.765 73.154 12.090 1.00 0.00 ATOM 1706 CA ALA A 217 -25.049 72.559 11.727 1.00 0.00 ATOM 1707 CB ALA A 217 -26.089 73.646 11.498 1.00 0.00 ATOM 1708 O ALA A 217 -25.279 70.585 10.384 1.00 0.00 ATOM 1709 C ALA A 217 -24.880 71.746 10.446 1.00 0.00 ATOM 1710 N ASP A 218 -24.220 72.342 9.458 1.00 0.00 ATOM 1711 CA ASP A 218 -23.972 71.696 8.174 1.00 0.00 ATOM 1712 CB ASP A 218 -23.326 72.678 7.196 1.00 0.00 ATOM 1713 CG ASP A 218 -24.302 73.721 6.687 1.00 0.00 ATOM 1714 OD1 ASP A 218 -25.521 73.544 6.893 1.00 0.00 ATOM 1715 OD2 ASP A 218 -23.847 74.715 6.082 1.00 0.00 ATOM 1716 O ASP A 218 -23.095 69.572 7.465 1.00 0.00 ATOM 1717 C ASP A 218 -23.033 70.491 8.279 1.00 0.00 ATOM 1718 N ILE A 219 -22.167 70.492 9.285 1.00 0.00 ATOM 1719 CA ILE A 219 -21.237 69.385 9.490 1.00 0.00 ATOM 1720 CB ILE A 219 -20.271 69.667 10.657 1.00 0.00 ATOM 1721 CG1 ILE A 219 -19.315 70.806 10.295 1.00 0.00 ATOM 1722 CG2 ILE A 219 -19.448 68.430 10.978 1.00 0.00 ATOM 1723 CD1 ILE A 219 -18.514 71.326 11.468 1.00 0.00 ATOM 1724 O ILE A 219 -21.625 67.006 9.362 1.00 0.00 ATOM 1725 C ILE A 219 -21.995 68.090 9.828 1.00 0.00 ATOM 1726 N LEU A 220 -23.071 68.212 10.614 1.00 0.00 ATOM 1727 CA LEU A 220 -23.891 67.089 11.013 1.00 0.00 ATOM 1728 CB LEU A 220 -25.056 67.559 11.886 1.00 0.00 ATOM 1729 CG LEU A 220 -26.007 66.473 12.390 1.00 0.00 ATOM 1730 CD1 LEU A 220 -25.267 65.470 13.262 1.00 0.00 ATOM 1731 CD2 LEU A 220 -27.131 67.081 13.214 1.00 0.00 ATOM 1732 O LEU A 220 -24.452 65.164 9.714 1.00 0.00 ATOM 1733 C LEU A 220 -24.461 66.392 9.792 1.00 0.00 ATOM 1734 N LYS A 221 -24.963 67.173 8.840 1.00 0.00 ATOM 1735 CA LYS A 221 -25.518 66.618 7.611 1.00 0.00 ATOM 1736 CB LYS A 221 -26.108 67.728 6.741 1.00 0.00 ATOM 1737 CG LYS A 221 -27.380 68.347 7.299 1.00 0.00 ATOM 1738 CD LYS A 221 -27.908 69.443 6.390 1.00 0.00 ATOM 1739 CE LYS A 221 -29.176 70.064 6.952 1.00 0.00 ATOM 1740 NZ LYS A 221 -29.687 71.163 6.087 1.00 0.00 ATOM 1741 O LYS A 221 -24.714 64.929 6.109 1.00 0.00 ATOM 1742 C LYS A 221 -24.435 65.893 6.802 1.00 0.00 ATOM 1743 N ILE A 222 -23.196 66.355 6.904 1.00 0.00 ATOM 1744 CA ILE A 222 -22.089 65.683 6.223 1.00 0.00 ATOM 1745 CB ILE A 222 -20.762 66.439 6.423 1.00 0.00 ATOM 1746 CG1 ILE A 222 -20.876 67.867 5.882 1.00 0.00 ATOM 1747 CG2 ILE A 222 -19.631 65.735 5.687 1.00 0.00 ATOM 1748 CD1 ILE A 222 -21.178 67.938 4.402 1.00 0.00 ATOM 1749 O ILE A 222 -21.421 63.405 5.968 1.00 0.00 ATOM 1750 C ILE A 222 -21.877 64.265 6.730 1.00 0.00 ATOM 1751 N THR A 223 -22.179 64.011 8.000 1.00 0.00 ATOM 1752 CA THR A 223 -21.900 62.709 8.593 1.00 0.00 ATOM 1753 CB THR A 223 -22.348 62.572 10.032 1.00 0.00 ATOM 1754 CG2 THR A 223 -21.604 63.540 10.890 1.00 0.00 ATOM 1755 OG1 THR A 223 -23.732 62.935 10.177 1.00 0.00 ATOM 1756 O THR A 223 -22.092 60.516 7.636 1.00 0.00 ATOM 1757 C THR A 223 -22.648 61.587 7.877 1.00 0.00 ATOM 1758 N GLN A 224 -23.909 61.832 7.542 1.00 0.00 ATOM 1759 CA GLN A 224 -24.700 60.859 6.793 1.00 0.00 ATOM 1760 CB GLN A 224 -26.126 61.374 6.587 1.00 0.00 ATOM 1761 CG GLN A 224 -26.938 61.486 7.866 1.00 0.00 ATOM 1762 CD GLN A 224 -28.317 62.069 7.632 1.00 0.00 ATOM 1763 OE1 GLN A 224 -28.661 62.443 6.511 1.00 0.00 ATOM 1764 NE2 GLN A 224 -29.113 62.149 8.693 1.00 0.00 ATOM 1765 O GLN A 224 -23.567 59.506 5.155 1.00 0.00 ATOM 1766 C GLN A 224 -24.076 60.601 5.419 1.00 0.00 ENDMDL EXPDTA 2hszA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hszA ATOM 1 N MET A 1 -23.479 56.361 7.577 1.00 0.00 ATOM 2 CA MET A 1 -23.377 56.363 6.117 1.00 0.00 ATOM 3 CB MET A 1 -24.676 56.895 5.469 1.00 0.00 ATOM 4 CG MET A 1 -25.253 56.036 4.266 1.00 0.00 ATOM 5 SD MET A 1 -25.145 54.029 4.439 1.00 0.00 ATOM 6 CE MET A 1 -26.128 53.445 2.836 1.00 0.00 ATOM 7 O MET A 1 -22.003 57.437 4.444 1.00 0.00 ATOM 8 C MET A 1 -22.140 57.157 5.647 1.00 0.00 ATOM 9 N THR A 2 -21.248 57.535 6.577 1.00 0.00 ATOM 10 CA THR A 2 -19.922 58.050 6.197 1.00 0.00 ATOM 11 CB THR A 2 -19.625 59.462 6.758 1.00 0.00 ATOM 12 CG2 THR A 2 -20.880 60.330 6.783 1.00 0.00 ATOM 13 OG1 THR A 2 -19.096 59.324 8.071 1.00 0.00 ATOM 14 O THR A 2 -18.957 56.137 7.345 1.00 0.00 ATOM 15 C THR A 2 -18.779 57.115 6.618 1.00 0.00 ATOM 16 N GLN A 3 -17.601 57.475 6.105 1.00 0.00 ATOM 17 CA GLN A 3 -16.326 56.810 6.341 1.00 0.00 ATOM 18 CB GLN A 3 -15.375 57.122 5.146 1.00 0.00 ATOM 19 CG GLN A 3 -14.263 58.187 5.358 1.00 0.00 ATOM 20 CD GLN A 3 -14.012 59.126 4.166 1.00 0.00 ATOM 21 OE1 GLN A 3 -14.962 59.672 3.604 1.00 0.00 ATOM 22 NE2 GLN A 3 -12.711 59.401 3.844 1.00 0.00 ATOM 23 O GLN A 3 -14.561 56.747 8.006 1.00 0.00 ATOM 24 C GLN A 3 -15.652 57.259 7.649 1.00 0.00 ATOM 25 N PHE A 4 -16.238 58.268 8.301 1.00 0.00 ATOM 26 CA PHE A 4 -15.558 58.954 9.416 1.00 0.00 ATOM 27 CB PHE A 4 -15.919 60.438 9.481 1.00 0.00 ATOM 28 CG PHE A 4 -15.752 61.157 8.201 1.00 0.00 ATOM 29 CD1 PHE A 4 -14.494 61.271 7.608 1.00 0.00 ATOM 30 CD2 PHE A 4 -16.838 61.750 7.587 1.00 0.00 ATOM 31 CE1 PHE A 4 -14.318 61.971 6.421 1.00 0.00 ATOM 32 CE2 PHE A 4 -16.677 62.439 6.399 1.00 0.00 ATOM 33 CZ PHE A 4 -15.418 62.560 5.817 1.00 0.00 ATOM 34 O PHE A 4 -17.012 57.849 10.955 1.00 0.00 ATOM 35 C PHE A 4 -15.886 58.290 10.737 1.00 0.00 ATOM 36 N LYS A 5 -14.865 58.177 11.573 1.00 0.00 ATOM 37 CA LYS A 5 -15.004 57.633 12.910 1.00 0.00 ATOM 38 CB LYS A 5 -13.978 56.516 13.098 1.00 0.00 ATOM 39 CG LYS A 5 -14.162 55.325 12.140 1.00 0.00 ATOM 40 CD LYS A 5 -15.546 54.753 12.168 1.00 0.00 ATOM 41 CE LYS A 5 -15.641 53.483 11.325 1.00 0.00 ATOM 42 NZ LYS A 5 -17.075 53.285 10.845 1.00 0.00 ATOM 43 O LYS A 5 -15.267 58.622 15.068 1.00 0.00 ATOM 44 C LYS A 5 -14.786 58.725 13.955 1.00 0.00 ATOM 45 N LEU A 6 -13.996 59.743 13.596 1.00 0.00 ATOM 46 CA LEU A 6 -13.595 60.787 14.520 1.00 0.00 ATOM 47 CB LEU A 6 -12.128 60.588 14.971 1.00 0.00 ATOM 48 CG LEU A 6 -11.538 61.571 15.996 1.00 0.00 ATOM 49 CD1 LEU A 6 -10.472 60.833 16.818 1.00 0.00 ATOM 50 CD2 LEU A 6 -10.964 62.781 15.333 1.00 0.00 ATOM 51 O LEU A 6 -13.348 62.235 12.599 1.00 0.00 ATOM 52 C LEU A 6 -13.711 62.114 13.794 1.00 0.00 ATOM 53 N ILE A 7 -14.206 63.122 14.510 1.00 0.00 ATOM 54 CA ILE A 7 -14.319 64.485 13.987 1.00 0.00 ATOM 55 CB ILE A 7 -15.778 65.010 13.897 1.00 0.00 ATOM 56 CG1 ILE A 7 -16.652 64.007 13.147 1.00 0.00 ATOM 57 CG2 ILE A 7 -15.816 66.389 13.120 1.00 0.00 ATOM 58 CD1 ILE A 7 -18.130 64.365 13.161 1.00 0.00 ATOM 59 O ILE A 7 -13.728 65.385 16.135 1.00 0.00 ATOM 60 C ILE A 7 -13.529 65.384 14.904 1.00 0.00 ATOM 61 N GLY A 8 -12.588 66.092 14.316 1.00 0.00 ATOM 62 CA GLY A 8 -11.724 66.987 15.034 1.00 0.00 ATOM 63 O GLY A 8 -12.537 68.753 13.631 1.00 0.00 ATOM 64 C GLY A 8 -12.053 68.429 14.727 1.00 0.00 ATOM 65 N PHE A 9 -11.732 69.298 15.683 1.00 0.00 ATOM 66 CA PHE A 9 -12.071 70.717 15.612 1.00 0.00 ATOM 67 CB PHE A 9 -13.291 71.028 16.507 1.00 0.00 ATOM 68 CG PHE A 9 -14.481 70.230 16.186 1.00 0.00 ATOM 69 CD1 PHE A 9 -14.662 68.989 16.757 1.00 0.00 ATOM 70 CD2 PHE A 9 -15.422 70.719 15.321 1.00 0.00 ATOM 71 CE1 PHE A 9 -15.765 68.201 16.434 1.00 0.00 ATOM 72 CE2 PHE A 9 -16.547 69.956 14.971 1.00 0.00 ATOM 73 CZ PHE A 9 -16.728 68.693 15.536 1.00 0.00 ATOM 74 O PHE A 9 -10.295 71.279 17.153 1.00 0.00 ATOM 75 C PHE A 9 -10.909 71.577 16.107 1.00 0.00 ATOM 76 N ASP A 10 -10.686 72.693 15.430 1.00 0.00 ATOM 77 CA ASP A 10 -9.916 73.804 16.038 1.00 0.00 ATOM 78 CB ASP A 10 -9.473 74.804 14.983 1.00 0.00 ATOM 79 CG ASP A 10 -8.443 75.809 15.522 1.00 0.00 ATOM 80 OD1 ASP A 10 -7.675 75.444 16.388 1.00 0.00 ATOM 81 OD2 ASP A 10 -8.406 76.965 15.103 1.00 0.00 ATOM 82 O ASP A 10 -12.007 74.160 17.189 1.00 0.00 ATOM 83 C ASP A 10 -10.811 74.456 17.100 1.00 0.00 ATOM 84 N LEU A 11 -10.248 75.333 17.907 1.00 0.00 ATOM 85 CA LEU A 11 -10.952 75.956 19.031 1.00 0.00 ATOM 86 CB LEU A 11 -10.111 75.768 20.319 1.00 0.00 ATOM 87 CG LEU A 11 -10.881 75.965 21.624 1.00 0.00 ATOM 88 CD1 LEU A 11 -9.995 75.661 22.841 1.00 0.00 ATOM 89 CD2 LEU A 11 -11.364 77.332 21.699 1.00 0.00 ATOM 90 O LEU A 11 -12.395 77.748 18.318 1.00 0.00 ATOM 91 C LEU A 11 -11.267 77.420 18.710 1.00 0.00 ATOM 92 N ASP A 12 -10.274 78.293 18.813 1.00 0.00 ATOM 93 CA ASP A 12 -10.438 79.708 18.451 1.00 0.00 ATOM 94 CB ASP A 12 -9.147 80.506 18.623 1.00 0.00 ATOM 95 CG ASP A 12 -8.521 80.344 19.993 1.00 0.00 ATOM 96 OD1 ASP A 12 -9.195 80.681 21.003 1.00 0.00 ATOM 97 OD2 ASP A 12 -7.368 79.826 20.018 1.00 0.00 ATOM 98 O ASP A 12 -10.062 79.556 16.084 1.00 0.00 ATOM 99 C ASP A 12 -10.822 79.899 16.983 1.00 0.00 ATOM 100 N GLY A 13 -11.965 80.499 16.747 1.00 0.00 ATOM 101 CA GLY A 13 -12.365 80.829 15.377 1.00 0.00 ATOM 102 O GLY A 13 -13.693 79.842 13.686 1.00 0.00 ATOM 103 C GLY A 13 -13.193 79.709 14.781 1.00 0.00 ATOM 104 N THR A 14 -13.342 78.608 15.508 1.00 0.00 ATOM 105 CA THR A 14 -14.140 77.477 15.017 1.00 0.00 ATOM 106 CB THR A 14 -13.250 76.241 14.765 1.00 0.00 ATOM 107 CG2 THR A 14 -14.116 74.927 14.666 1.00 0.00 ATOM 108 OG1 THR A 14 -12.438 76.419 13.572 1.00 0.00 ATOM 109 O THR A 14 -16.469 77.149 15.643 1.00 0.00 ATOM 110 C THR A 14 -15.298 77.165 16.008 1.00 0.00 ATOM 111 N LEU A 15 -14.925 76.868 17.247 1.00 0.00 ATOM 112 CA LEU A 15 -15.915 76.602 18.314 1.00 0.00 ATOM 113 CB LEU A 15 -15.371 75.546 19.237 1.00 0.00 ATOM 114 CG LEU A 15 -15.010 74.154 18.660 1.00 0.00 ATOM 115 CD1 LEU A 15 -14.377 73.257 19.777 1.00 0.00 ATOM 116 CD2 LEU A 15 -16.235 73.522 18.044 1.00 0.00 ATOM 117 O LEU A 15 -17.459 78.194 19.368 1.00 0.00 ATOM 118 C LEU A 15 -16.270 77.884 19.107 1.00 0.00 ATOM 119 N VAL A 16 -15.232 78.634 19.458 1.00 0.00 ATOM 120 CA VAL A 16 -15.345 79.835 20.258 1.00 0.00 ATOM 121 CB VAL A 16 -14.568 79.700 21.593 1.00 0.00 ATOM 122 CG1 VAL A 16 -14.789 80.971 22.555 1.00 0.00 ATOM 123 CG2 VAL A 16 -14.975 78.427 22.334 1.00 0.00 ATOM 124 O VAL A 16 -13.707 81.101 18.957 1.00 0.00 ATOM 125 C VAL A 16 -14.837 81.080 19.507 1.00 0.00 ATOM 126 N ASN A 17 -15.637 82.135 19.550 1.00 0.00 ATOM 127 CA ASN A 17 -15.211 83.453 19.080 1.00 0.00 ATOM 128 CB ASN A 17 -16.406 84.284 18.619 1.00 0.00 ATOM 129 CG ASN A 17 -15.986 85.588 17.982 1.00 0.00 ATOM 130 ND2 ASN A 17 -16.952 86.473 17.787 1.00 0.00 ATOM 131 OD1 ASN A 17 -14.826 85.795 17.660 1.00 0.00 ATOM 132 O ASN A 17 -15.076 84.908 21.001 1.00 0.00 ATOM 133 C ASN A 17 -14.476 84.157 20.223 1.00 0.00 ATOM 134 N SER A 18 -13.178 83.867 20.324 1.00 0.00 ATOM 135 CA SER A 18 -12.311 84.320 21.401 1.00 0.00 ATOM 136 CB SER A 18 -11.328 83.182 21.685 1.00 0.00 ATOM 137 OG SER A 18 -10.578 82.873 20.505 1.00 0.00 ATOM 138 O SER A 18 -10.855 86.185 22.012 1.00 0.00 ATOM 139 C SER A 18 -11.524 85.612 21.122 1.00 0.00 ATOM 140 N LEU A 19 -11.574 86.052 19.882 1.00 0.00 ATOM 141 CA LEU A 19 -10.871 87.243 19.439 1.00 0.00 ATOM 142 CB LEU A 19 -11.165 87.552 17.973 1.00 0.00 ATOM 143 CG LEU A 19 -10.610 88.880 17.438 1.00 0.00 ATOM 144 CD1 LEU A 19 -9.079 88.912 17.590 1.00 0.00 ATOM 145 CD2 LEU A 19 -11.053 89.155 16.015 1.00 0.00 ATOM 146 O LEU A 19 -10.206 89.106 20.777 1.00 0.00 ATOM 147 C LEU A 19 -11.142 88.435 20.384 1.00 0.00 ATOM 148 N PRO A 20 -12.416 88.681 20.796 1.00 0.00 ATOM 149 CA PRO A 20 -12.626 89.841 21.691 1.00 0.00 ATOM 150 CB PRO A 20 -14.132 89.789 22.000 1.00 0.00 ATOM 151 CG PRO A 20 -14.741 88.966 20.875 1.00 0.00 ATOM 152 CD PRO A 20 -13.687 87.985 20.484 1.00 0.00 ATOM 153 O PRO A 20 -11.257 90.817 23.401 1.00 0.00 ATOM 154 C PRO A 20 -11.818 89.800 22.986 1.00 0.00 ATOM 155 N ASP A 21 -11.746 88.639 23.619 1.00 0.00 ATOM 156 CA ASP A 21 -10.987 88.495 24.863 1.00 0.00 ATOM 157 CB ASP A 21 -11.435 87.236 25.624 1.00 0.00 ATOM 158 CG ASP A 21 -12.847 87.400 26.258 1.00 0.00 ATOM 159 OD1 ASP A 21 -13.209 88.524 26.648 1.00 0.00 ATOM 160 OD2 ASP A 21 -13.589 86.396 26.369 1.00 0.00 ATOM 161 O ASP A 21 -8.674 89.061 25.363 1.00 0.00 ATOM 162 C ASP A 21 -9.465 88.482 24.590 1.00 0.00 ATOM 163 N LEU A 22 -9.052 87.856 23.498 1.00 0.00 ATOM 164 CA LEU A 22 -7.635 87.903 23.123 1.00 0.00 ATOM 165 CB LEU A 22 -7.342 86.986 21.921 1.00 0.00 ATOM 166 CG LEU A 22 -7.379 85.503 22.254 1.00 0.00 ATOM 167 CD1 LEU A 22 -7.622 84.631 20.990 1.00 0.00 ATOM 168 CD2 LEU A 22 -6.108 85.040 23.063 1.00 0.00 ATOM 169 O LEU A 22 -6.078 89.695 23.383 1.00 0.00 ATOM 170 C LEU A 22 -7.139 89.326 22.884 1.00 0.00 ATOM 171 N ALA A 23 -7.929 90.133 22.167 1.00 0.00 ATOM 172 CA ALA A 23 -7.606 91.501 21.856 1.00 0.00 ATOM 173 CB ALA A 23 -8.639 92.072 20.847 1.00 0.00 ATOM 174 O ALA A 23 -6.660 93.149 23.281 1.00 0.00 ATOM 175 C ALA A 23 -7.575 92.361 23.107 1.00 0.00 ATOM 176 N LEU A 24 -8.572 92.201 23.983 1.00 0.00 ATOM 177 CA LEU A 24 -8.634 92.951 25.227 1.00 0.00 ATOM 178 CB LEU A 24 -9.910 92.626 26.007 1.00 0.00 ATOM 179 CG LEU A 24 -10.130 93.374 27.321 1.00 0.00 ATOM 180 O LEU A 24 -6.829 93.487 26.693 1.00 0.00 ATOM 181 C LEU A 24 -7.418 92.615 26.069 1.00 0.00 ATOM 182 N SER A 25 -7.045 91.342 26.097 1.00 0.00 ATOM 183 CA SER A 25 -5.947 90.902 26.979 1.00 0.00 ATOM 184 CB SER A 25 -5.983 89.370 27.123 1.00 0.00 ATOM 185 OG SER A 25 -7.230 88.975 27.678 1.00 0.00 ATOM 186 O SER A 25 -3.782 91.962 27.212 1.00 0.00 ATOM 187 C SER A 25 -4.600 91.407 26.453 1.00 0.00 ATOM 188 N ILE A 26 -4.369 91.235 25.148 1.00 0.00 ATOM 189 CA ILE A 26 -3.102 91.633 24.540 1.00 0.00 ATOM 190 CB ILE A 26 -2.957 91.071 23.097 1.00 0.00 ATOM 191 CG1 ILE A 26 -1.494 90.808 22.754 1.00 0.00 ATOM 192 CG2 ILE A 26 -3.627 91.988 22.029 1.00 0.00 ATOM 193 CD1 ILE A 26 -1.350 89.635 21.864 1.00 0.00 ATOM 194 O ILE A 26 -1.825 93.663 24.875 1.00 0.00 ATOM 195 C ILE A 26 -2.926 93.176 24.619 1.00 0.00 ATOM 196 N ASN A 27 -4.015 93.923 24.453 1.00 0.00 ATOM 197 CA ASN A 27 -3.964 95.375 24.522 1.00 0.00 ATOM 198 CB ASN A 27 -5.231 96.008 23.910 1.00 0.00 ATOM 199 CG ASN A 27 -5.198 96.018 22.396 1.00 0.00 ATOM 200 ND2 ASN A 27 -6.378 95.888 21.769 1.00 0.00 ATOM 201 OD1 ASN A 27 -4.126 96.103 21.789 1.00 0.00 ATOM 202 O ASN A 27 -3.029 96.901 26.064 1.00 0.00 ATOM 203 C ASN A 27 -3.716 95.908 25.917 1.00 0.00 ATOM 204 N SER A 28 -4.246 95.241 26.947 1.00 0.00 ATOM 205 CA SER A 28 -3.923 95.599 28.337 1.00 0.00 ATOM 206 CB SER A 28 -4.781 94.807 29.317 1.00 0.00 ATOM 207 OG SER A 28 -6.164 95.013 29.072 1.00 0.00 ATOM 208 O SER A 28 -1.809 96.218 29.332 1.00 0.00 ATOM 209 C SER A 28 -2.432 95.382 28.653 1.00 0.00 ATOM 210 N ALA A 29 -1.867 94.305 28.122 1.00 0.00 ATOM 211 CA ALA A 29 -0.439 94.012 28.312 1.00 0.00 ATOM 212 CB ALA A 29 -0.109 92.577 27.911 1.00 0.00 ATOM 213 O ALA A 29 1.440 95.450 28.054 1.00 0.00 ATOM 214 C ALA A 29 0.436 94.998 27.534 1.00 0.00 ATOM 215 N LEU A 30 0.079 95.291 26.286 1.00 0.00 ATOM 216 CA LEU A 30 0.761 96.381 25.533 1.00 0.00 ATOM 217 CB LEU A 30 0.145 96.558 24.147 1.00 0.00 ATOM 218 CG LEU A 30 0.499 95.473 23.123 1.00 0.00 ATOM 219 CD1 LEU A 30 -0.396 95.526 21.897 1.00 0.00 ATOM 220 CD2 LEU A 30 2.014 95.521 22.739 1.00 0.00 ATOM 221 O LEU A 30 1.826 98.367 26.386 1.00 0.00 ATOM 222 C LEU A 30 0.783 97.720 26.286 1.00 0.00 ATOM 223 N LYS A 31 -0.360 98.106 26.854 1.00 0.00 ATOM 224 CA LYS A 31 -0.457 99.279 27.699 1.00 0.00 ATOM 225 CB LYS A 31 -1.922 99.494 28.123 1.00 0.00 ATOM 226 CG LYS A 31 -2.149 100.708 28.994 1.00 0.00 ATOM 227 CD LYS A 31 -3.620 100.975 29.228 1.00 0.00 ATOM 228 CE LYS A 31 -3.815 102.065 30.297 1.00 0.00 ATOM 229 O LYS A 31 1.149 100.207 29.228 1.00 0.00 ATOM 230 C LYS A 31 0.498 99.203 28.905 1.00 0.00 ATOM 231 N ASP A 32 0.638 98.023 29.537 1.00 0.00 ATOM 232 CA ASP A 32 1.559 97.856 30.686 1.00 0.00 ATOM 233 CB ASP A 32 1.403 96.506 31.397 1.00 0.00 ATOM 234 CG ASP A 32 0.008 96.294 31.983 1.00 0.00 ATOM 235 OD1 ASP A 32 -0.744 97.291 32.181 1.00 0.00 ATOM 236 OD2 ASP A 32 -0.326 95.123 32.244 1.00 0.00 ATOM 237 O ASP A 32 3.822 98.299 31.212 1.00 0.00 ATOM 238 C ASP A 32 3.032 98.018 30.331 1.00 0.00 ATOM 239 N VAL A 33 3.407 97.859 29.069 1.00 0.00 ATOM 240 CA VAL A 33 4.799 98.113 28.664 1.00 0.00 ATOM 241 CB VAL A 33 5.418 96.885 27.977 1.00 0.00 ATOM 242 CG1 VAL A 33 5.603 95.766 29.002 1.00 0.00 ATOM 243 CG2 VAL A 33 4.567 96.409 26.779 1.00 0.00 ATOM 244 O VAL A 33 5.827 99.603 27.055 1.00 0.00 ATOM 245 C VAL A 33 4.889 99.400 27.804 1.00 0.00 ATOM 246 N ASN A 34 3.888 100.255 27.950 1.00 0.00 ATOM 247 CA ASN A 34 3.840 101.556 27.280 1.00 0.00 ATOM 248 CB ASN A 34 4.910 102.497 27.848 1.00 0.00 ATOM 249 CG ASN A 34 4.748 102.739 29.336 1.00 0.00 ATOM 250 ND2 ASN A 34 5.819 102.555 30.066 1.00 0.00 ATOM 251 OD1 ASN A 34 3.675 103.103 29.817 1.00 0.00 ATOM 252 O ASN A 34 4.736 102.240 25.155 1.00 0.00 ATOM 253 C ASN A 34 3.986 101.454 25.768 1.00 0.00 ATOM 254 N LEU A 35 3.268 100.487 25.176 1.00 0.00 ATOM 255 CA LEU A 35 3.194 100.317 23.728 1.00 0.00 ATOM 256 CB LEU A 35 3.652 98.927 23.289 1.00 0.00 ATOM 257 CG LEU A 35 5.153 98.644 23.448 1.00 0.00 ATOM 258 CD1 LEU A 35 5.528 97.199 23.100 1.00 0.00 ATOM 259 CD2 LEU A 35 5.990 99.640 22.621 1.00 0.00 ATOM 260 O LEU A 35 0.804 100.497 24.016 1.00 0.00 ATOM 261 C LEU A 35 1.778 100.621 23.245 1.00 0.00 ATOM 262 N PRO A 36 1.658 101.064 21.970 1.00 0.00 ATOM 263 CA PRO A 36 0.344 101.330 21.377 1.00 0.00 ATOM 264 CB PRO A 36 0.678 101.906 19.995 1.00 0.00 ATOM 265 CG PRO A 36 2.073 101.497 19.720 1.00 0.00 ATOM 266 CD PRO A 36 2.759 101.356 21.036 1.00 0.00 ATOM 267 O PRO A 36 -0.020 98.976 21.099 1.00 0.00 ATOM 268 C PRO A 36 -0.527 100.089 21.247 1.00 0.00 ATOM 269 N GLN A 37 -1.841 100.301 21.273 1.00 0.00 ATOM 270 CA GLN A 37 -2.835 99.219 21.218 1.00 0.00 ATOM 271 CB GLN A 37 -3.975 99.539 22.173 1.00 0.00 ATOM 272 CG GLN A 37 -3.474 99.599 23.607 1.00 0.00 ATOM 273 CD GLN A 37 -4.527 100.009 24.592 1.00 0.00 ATOM 274 OE1 GLN A 37 -5.599 99.416 24.659 1.00 0.00 ATOM 275 NE2 GLN A 37 -4.220 101.019 25.392 1.00 0.00 ATOM 276 O GLN A 37 -3.268 99.870 18.941 1.00 0.00 ATOM 277 C GLN A 37 -3.319 98.979 19.787 1.00 0.00 ATOM 278 N ALA A 38 -3.716 97.744 19.502 1.00 0.00 ATOM 279 CA ALA A 38 -4.033 97.310 18.141 1.00 0.00 ATOM 280 CB ALA A 38 -3.367 95.973 17.846 1.00 0.00 ATOM 281 O ALA A 38 -6.247 96.858 18.893 1.00 0.00 ATOM 282 C ALA A 38 -5.521 97.174 17.955 1.00 0.00 ATOM 283 N SER A 39 -5.978 97.415 16.733 1.00 0.00 ATOM 284 CA SER A 39 -7.356 97.060 16.352 1.00 0.00 ATOM 285 CB SER A 39 -7.648 97.478 14.906 1.00 0.00 ATOM 286 OG SER A 39 -7.068 96.570 13.973 1.00 0.00 ATOM 287 O SER A 39 -6.617 94.785 16.408 1.00 0.00 ATOM 288 C SER A 39 -7.568 95.560 16.477 1.00 0.00 ATOM 289 N GLU A 40 -8.833 95.171 16.618 1.00 0.00 ATOM 290 CA GLU A 40 -9.196 93.781 16.719 1.00 0.00 ATOM 291 CB GLU A 40 -10.671 93.602 17.090 1.00 0.00 ATOM 292 CG GLU A 40 -11.038 93.878 18.588 1.00 0.00 ATOM 293 CD GLU A 40 -11.224 95.381 18.968 1.00 0.00 ATOM 294 OE1 GLU A 40 -11.610 96.233 18.110 1.00 0.00 ATOM 295 OE2 GLU A 40 -10.971 95.717 20.160 1.00 0.00 ATOM 296 O GLU A 40 -8.506 91.855 15.505 1.00 0.00 ATOM 297 C GLU A 40 -8.898 93.025 15.427 1.00 0.00 ATOM 298 N ASN A 41 -9.054 93.659 14.259 1.00 0.00 ATOM 299 CA ASN A 41 -8.697 92.970 13.004 1.00 0.00 ATOM 300 CB ASN A 41 -9.053 93.773 11.758 1.00 0.00 ATOM 301 CG ASN A 41 -8.716 93.008 10.469 1.00 0.00 ATOM 302 ND2 ASN A 41 -9.593 92.112 10.105 1.00 0.00 ATOM 303 OD1 ASN A 41 -7.657 93.181 9.865 1.00 0.00 ATOM 304 O ASN A 41 -6.798 91.604 12.547 1.00 0.00 ATOM 305 C ASN A 41 -7.211 92.676 12.952 1.00 0.00 ATOM 306 N LEU A 42 -6.389 93.629 13.380 1.00 0.00 ATOM 307 CA LEU A 42 -4.939 93.396 13.402 1.00 0.00 ATOM 308 CB LEU A 42 -4.229 94.675 13.802 1.00 0.00 ATOM 309 CG LEU A 42 -2.722 94.740 13.657 1.00 0.00 ATOM 310 CD1 LEU A 42 -2.256 94.539 12.232 1.00 0.00 ATOM 311 CD2 LEU A 42 -2.262 96.118 14.187 1.00 0.00 ATOM 312 O LEU A 42 -3.766 91.365 14.009 1.00 0.00 ATOM 313 C LEU A 42 -4.547 92.262 14.359 1.00 0.00 ATOM 314 N VAL A 43 -5.097 92.280 15.575 1.00 0.00 ATOM 315 CA VAL A 43 -4.832 91.214 16.514 1.00 0.00 ATOM 316 CB VAL A 43 -5.615 91.384 17.847 1.00 0.00 ATOM 317 CG1 VAL A 43 -5.467 90.133 18.742 1.00 0.00 ATOM 318 CG2 VAL A 43 -5.160 92.667 18.589 1.00 0.00 ATOM 319 O VAL A 43 -4.466 88.874 16.058 1.00 0.00 ATOM 320 C VAL A 43 -5.175 89.873 15.876 1.00 0.00 ATOM 321 N MET A 44 -6.304 89.842 15.180 1.00 0.00 ATOM 322 CA MET A 44 -6.810 88.620 14.548 1.00 0.00 ATOM 323 CB MET A 44 -8.087 88.944 13.774 1.00 0.00 ATOM 324 CG MET A 44 -8.765 87.738 13.101 1.00 0.00 ATOM 325 SD MET A 44 -8.097 87.391 11.320 1.00 0.00 ATOM 326 CE MET A 44 -8.819 88.859 10.364 1.00 0.00 ATOM 327 O MET A 44 -5.608 86.827 13.588 1.00 0.00 ATOM 328 C MET A 44 -5.781 88.028 13.615 1.00 0.00 ATOM 329 N THR A 45 -5.070 88.884 12.877 1.00 0.00 ATOM 330 CA THR A 45 -4.103 88.446 11.891 1.00 0.00 ATOM 331 CB THR A 45 -3.665 89.596 10.939 1.00 0.00 ATOM 332 CG2 THR A 45 -4.874 90.253 10.244 1.00 0.00 ATOM 333 OG1 THR A 45 -2.914 90.579 11.685 1.00 0.00 ATOM 334 O THR A 45 -2.099 87.162 11.842 1.00 0.00 ATOM 335 C THR A 45 -2.863 87.812 12.530 1.00 0.00 ATOM 336 N TRP A 46 -2.683 87.979 13.845 1.00 0.00 ATOM 337 CA TRP A 46 -1.543 87.393 14.566 1.00 0.00 ATOM 338 CB TRP A 46 -1.137 88.283 15.710 1.00 0.00 ATOM 339 CG TRP A 46 -0.765 89.689 15.285 1.00 0.00 ATOM 340 CD1 TRP A 46 -0.260 90.093 14.070 1.00 0.00 ATOM 341 CD2 TRP A 46 -0.863 90.876 16.097 1.00 0.00 ATOM 342 CE2 TRP A 46 -0.398 91.959 15.313 1.00 0.00 ATOM 343 CE3 TRP A 46 -1.268 91.118 17.430 1.00 0.00 ATOM 344 NE1 TRP A 46 -0.051 91.462 14.084 1.00 0.00 ATOM 345 CZ2 TRP A 46 -0.361 93.266 15.797 1.00 0.00 ATOM 346 CZ3 TRP A 46 -1.265 92.432 17.892 1.00 0.00 ATOM 347 CH2 TRP A 46 -0.797 93.476 17.083 1.00 0.00 ATOM 348 O TRP A 46 -0.916 85.333 15.629 1.00 0.00 ATOM 349 C TRP A 46 -1.842 86.024 15.164 1.00 0.00 ATOM 350 N ILE A 47 -3.125 85.686 15.199 1.00 0.00 ATOM 351 CA ILE A 47 -3.628 84.458 15.771 1.00 0.00 ATOM 352 CB ILE A 47 -5.143 84.577 16.121 1.00 0.00 ATOM 353 CG1 ILE A 47 -5.434 85.673 17.167 1.00 0.00 ATOM 354 CG2 ILE A 47 -5.743 83.222 16.687 1.00 0.00 ATOM 355 CD1 ILE A 47 -6.990 85.836 17.466 1.00 0.00 ATOM 356 O ILE A 47 -3.767 83.352 13.597 1.00 0.00 ATOM 357 C ILE A 47 -3.464 83.274 14.799 1.00 0.00 ATOM 358 N GLY A 48 -3.059 82.130 15.338 1.00 0.00 ATOM 359 CA GLY A 48 -3.129 80.905 14.541 1.00 0.00 ATOM 360 O GLY A 48 -2.106 78.784 14.411 1.00 0.00 ATOM 361 C GLY A 48 -1.986 79.964 14.738 1.00 0.00 ATOM 362 N ASN A 49 -0.881 80.492 15.259 1.00 0.00 ATOM 363 CA ASN A 49 0.377 79.785 15.326 1.00 0.00 ATOM 364 CB ASN A 49 1.376 80.484 14.389 1.00 0.00 ATOM 365 CG ASN A 49 0.834 80.625 12.950 1.00 0.00 ATOM 366 ND2 ASN A 49 0.676 79.487 12.224 1.00 0.00 ATOM 367 OD1 ASN A 49 0.506 81.736 12.525 1.00 0.00 ATOM 368 O ASN A 49 2.171 79.589 16.922 1.00 0.00 ATOM 369 C ASN A 49 0.949 79.707 16.740 1.00 0.00 ATOM 370 N GLY A 50 0.074 79.848 17.736 1.00 0.00 ATOM 371 CA GLY A 50 0.446 79.744 19.122 1.00 0.00 ATOM 372 O GLY A 50 0.938 82.091 19.181 1.00 0.00 ATOM 373 C GLY A 50 0.730 81.051 19.818 1.00 0.00 ATOM 374 N ALA A 51 0.725 80.995 21.141 1.00 0.00 ATOM 375 CA ALA A 51 0.742 82.218 21.953 1.00 0.00 ATOM 376 CB ALA A 51 0.287 81.924 23.383 1.00 0.00 ATOM 377 O ALA A 51 2.175 84.136 21.964 1.00 0.00 ATOM 378 C ALA A 51 2.118 82.918 21.910 1.00 0.00 ATOM 379 N ASP A 52 3.210 82.173 21.757 1.00 0.00 ATOM 380 CA ASP A 52 4.516 82.828 21.604 1.00 0.00 ATOM 381 CB ASP A 52 5.654 81.834 21.646 1.00 0.00 ATOM 382 CG ASP A 52 6.053 81.469 23.079 1.00 0.00 ATOM 383 OD1 ASP A 52 5.930 82.318 23.985 1.00 0.00 ATOM 384 OD2 ASP A 52 6.482 80.324 23.285 1.00 0.00 ATOM 385 O ASP A 52 5.132 84.770 20.348 1.00 0.00 ATOM 386 C ASP A 52 4.628 83.637 20.328 1.00 0.00 ATOM 387 N VAL A 53 4.185 83.055 19.222 1.00 0.00 ATOM 388 CA VAL A 53 4.233 83.753 17.947 1.00 0.00 ATOM 389 CB VAL A 53 3.883 82.842 16.765 1.00 0.00 ATOM 390 CG1 VAL A 53 3.758 83.679 15.457 1.00 0.00 ATOM 391 CG2 VAL A 53 4.977 81.807 16.610 1.00 0.00 ATOM 392 O VAL A 53 3.631 86.035 17.541 1.00 0.00 ATOM 393 C VAL A 53 3.287 84.955 17.997 1.00 0.00 ATOM 394 N LEU A 54 2.099 84.765 18.559 1.00 0.00 ATOM 395 CA LEU A 54 1.138 85.889 18.740 1.00 0.00 ATOM 396 CB LEU A 54 -0.131 85.350 19.434 1.00 0.00 ATOM 397 CG LEU A 54 -1.184 86.341 19.976 1.00 0.00 ATOM 398 CD1 LEU A 54 -1.669 87.236 18.902 1.00 0.00 ATOM 399 CD2 LEU A 54 -2.383 85.593 20.561 1.00 0.00 ATOM 400 O LEU A 54 1.596 88.259 19.103 1.00 0.00 ATOM 401 C LEU A 54 1.746 87.089 19.517 1.00 0.00 ATOM 402 N SER A 55 2.417 86.782 20.618 1.00 0.00 ATOM 403 CA SER A 55 3.144 87.745 21.458 1.00 0.00 ATOM 404 CB SER A 55 3.744 87.028 22.693 1.00 0.00 ATOM 405 OG SER A 55 2.719 86.506 23.528 1.00 0.00 ATOM 406 O SER A 55 4.458 89.656 20.791 1.00 0.00 ATOM 407 C SER A 55 4.266 88.444 20.680 1.00 0.00 ATOM 408 N GLN A 56 5.029 87.681 19.908 1.00 0.00 ATOM 409 CA GLN A 56 6.113 88.260 19.126 1.00 0.00 ATOM 410 CB GLN A 56 6.975 87.145 18.504 1.00 0.00 ATOM 411 CG GLN A 56 8.254 87.630 17.852 1.00 0.00 ATOM 412 CD GLN A 56 9.279 88.129 18.879 1.00 0.00 ATOM 413 OE1 GLN A 56 9.751 87.348 19.711 1.00 0.00 ATOM 414 NE2 GLN A 56 9.633 89.429 18.819 1.00 0.00 ATOM 415 O GLN A 56 6.086 90.269 17.801 1.00 0.00 ATOM 416 C GLN A 56 5.565 89.184 18.024 1.00 0.00 ATOM 417 N ARG A 57 4.530 88.751 17.317 1.00 0.00 ATOM 418 CA ARG A 57 3.904 89.613 16.314 1.00 0.00 ATOM 419 CB ARG A 57 2.789 88.875 15.590 1.00 0.00 ATOM 420 CG ARG A 57 3.292 87.727 14.710 1.00 0.00 ATOM 421 CD ARG A 57 2.148 86.893 14.201 1.00 0.00 ATOM 422 NE ARG A 57 2.643 85.907 13.248 1.00 0.00 ATOM 423 CZ ARG A 57 2.032 84.780 12.932 1.00 0.00 ATOM 424 NH1 ARG A 57 0.873 84.454 13.473 1.00 0.00 ATOM 425 NH2 ARG A 57 2.613 83.958 12.074 1.00 0.00 ATOM 426 O ARG A 57 3.565 92.000 16.376 1.00 0.00 ATOM 427 C ARG A 57 3.376 90.903 16.945 1.00 0.00 ATOM 428 N ALA A 58 2.718 90.795 18.102 1.00 0.00 ATOM 429 CA ALA A 58 2.140 92.004 18.759 1.00 0.00 ATOM 430 CB ALA A 58 1.405 91.662 20.034 1.00 0.00 ATOM 431 O ALA A 58 3.059 94.213 18.692 1.00 0.00 ATOM 432 C ALA A 58 3.205 93.035 19.054 1.00 0.00 ATOM 433 N VAL A 59 4.264 92.584 19.726 1.00 0.00 ATOM 434 CA VAL A 59 5.299 93.477 20.229 1.00 0.00 ATOM 435 CB VAL A 59 6.223 92.778 21.248 1.00 0.00 ATOM 436 CG1 VAL A 59 7.493 93.521 21.430 1.00 0.00 ATOM 437 CG2 VAL A 59 5.529 92.692 22.612 1.00 0.00 ATOM 438 O VAL A 59 6.369 95.226 19.008 1.00 0.00 ATOM 439 C VAL A 59 6.057 94.044 19.030 1.00 0.00 ATOM 440 N ASP A 60 6.285 93.232 18.007 1.00 0.00 ATOM 441 CA ASP A 60 7.031 93.713 16.825 1.00 0.00 ATOM 442 CB ASP A 60 7.349 92.545 15.890 1.00 0.00 ATOM 443 CG ASP A 60 8.490 91.683 16.411 1.00 0.00 ATOM 444 OD1 ASP A 60 9.222 92.143 17.332 1.00 0.00 ATOM 445 OD2 ASP A 60 8.661 90.563 15.901 1.00 0.00 ATOM 446 O ASP A 60 6.886 95.809 15.680 1.00 0.00 ATOM 447 C ASP A 60 6.291 94.823 16.086 1.00 0.00 ATOM 448 N TRP A 61 4.975 94.664 15.973 1.00 0.00 ATOM 449 CA TRP A 61 4.101 95.647 15.353 1.00 0.00 ATOM 450 CB TRP A 61 2.668 95.110 15.259 1.00 0.00 ATOM 451 CG TRP A 61 1.721 96.218 14.882 1.00 0.00 ATOM 452 CD1 TRP A 61 1.508 96.699 13.630 1.00 0.00 ATOM 453 CD2 TRP A 61 0.954 97.046 15.768 1.00 0.00 ATOM 454 CE2 TRP A 61 0.284 97.994 14.973 1.00 0.00 ATOM 455 CE3 TRP A 61 0.752 97.068 17.143 1.00 0.00 ATOM 456 NE1 TRP A 61 0.632 97.744 13.674 1.00 0.00 ATOM 457 CZ2 TRP A 61 -0.592 98.937 15.508 1.00 0.00 ATOM 458 CZ3 TRP A 61 -0.115 97.996 17.667 1.00 0.00 ATOM 459 CH2 TRP A 61 -0.762 98.926 16.858 1.00 0.00 ATOM 460 O TRP A 61 4.241 98.053 15.611 1.00 0.00 ATOM 461 C TRP A 61 4.089 96.943 16.157 1.00 0.00 ATOM 462 N ALA A 62 3.874 96.809 17.461 1.00 0.00 ATOM 463 CA ALA A 62 3.712 97.969 18.339 1.00 0.00 ATOM 464 CB ALA A 62 3.176 97.540 19.722 1.00 0.00 ATOM 465 O ALA A 62 4.999 99.998 18.518 1.00 0.00 ATOM 466 C ALA A 62 5.005 98.755 18.470 1.00 0.00 ATOM 467 N CYS A 63 6.120 98.043 18.564 1.00 0.00 ATOM 468 CA CYS A 63 7.437 98.690 18.600 1.00 0.00 ATOM 469 CB CYS A 63 8.534 97.651 18.809 1.00 0.00 ATOM 470 SG CYS A 63 8.716 97.177 20.552 1.00 0.00 ATOM 471 O CYS A 63 8.261 100.615 17.428 1.00 0.00 ATOM 472 C CYS A 63 7.746 99.481 17.339 1.00 0.00 ATOM 473 N THR A 64 7.457 98.876 16.180 1.00 0.00 ATOM 474 CA THR A 64 7.595 99.561 14.882 1.00 0.00 ATOM 475 CB THR A 64 7.301 98.611 13.731 1.00 0.00 ATOM 476 O THR A 64 7.128 101.872 14.410 1.00 0.00 ATOM 477 C THR A 64 6.688 100.787 14.801 1.00 0.00 ATOM 478 N GLN A 65 5.430 100.630 15.202 1.00 0.00 ATOM 479 CA GLN A 65 4.513 101.764 15.297 1.00 0.00 ATOM 480 CB GLN A 65 3.183 101.298 15.878 1.00 0.00 ATOM 481 CG GLN A 65 2.072 102.313 15.811 1.00 0.00 ATOM 482 CD GLN A 65 1.220 102.141 14.584 1.00 0.00 ATOM 483 OE1 GLN A 65 1.682 101.641 13.550 1.00 0.00 ATOM 484 NE2 GLN A 65 -0.044 102.538 14.690 1.00 0.00 ATOM 485 O GLN A 65 5.034 104.074 15.745 1.00 0.00 ATOM 486 C GLN A 65 5.088 102.910 16.146 1.00 0.00 ATOM 487 N ALA A 66 5.675 102.578 17.296 1.00 0.00 ATOM 488 CA ALA A 66 6.095 103.560 18.290 1.00 0.00 ATOM 489 CB ALA A 66 5.792 103.025 19.706 1.00 0.00 ATOM 490 O ALA A 66 8.059 104.861 18.875 1.00 0.00 ATOM 491 C ALA A 66 7.583 103.954 18.180 1.00 0.00 ATOM 492 N GLU A 67 8.310 103.284 17.299 1.00 0.00 ATOM 493 CA GLU A 67 9.748 103.473 17.192 1.00 0.00 ATOM 494 CB GLU A 67 10.067 104.844 16.591 1.00 0.00 ATOM 495 CG GLU A 67 9.441 105.031 15.226 1.00 0.00 ATOM 496 CD GLU A 67 10.108 106.137 14.424 1.00 0.00 ATOM 497 OE1 GLU A 67 10.024 107.316 14.838 1.00 0.00 ATOM 498 OE2 GLU A 67 10.716 105.821 13.378 1.00 0.00 ATOM 499 O GLU A 67 11.249 104.113 18.950 1.00 0.00 ATOM 500 C GLU A 67 10.417 103.301 18.544 1.00 0.00 ATOM 501 N LYS A 68 10.027 102.232 19.237 1.00 0.00 ATOM 502 CA LYS A 68 10.618 101.849 20.513 1.00 0.00 ATOM 503 CB LYS A 68 9.566 101.901 21.640 1.00 0.00 ATOM 504 CG LYS A 68 9.118 103.302 22.073 1.00 0.00 ATOM 505 CD LYS A 68 7.835 103.297 22.942 1.00 0.00 ATOM 506 CE LYS A 68 8.106 103.101 24.441 1.00 0.00 ATOM 507 O LYS A 68 10.783 99.748 19.379 1.00 0.00 ATOM 508 C LYS A 68 11.124 100.423 20.352 1.00 0.00 ATOM 509 N GLU A 69 11.926 99.956 21.297 1.00 0.00 ATOM 510 CA GLU A 69 12.236 98.536 21.411 1.00 0.00 ATOM 511 CB GLU A 69 13.702 98.259 21.061 1.00 0.00 ATOM 512 CG GLU A 69 14.141 98.718 19.663 1.00 0.00 ATOM 513 CD GLU A 69 15.623 99.067 19.606 1.00 0.00 ATOM 514 O GLU A 69 11.858 99.002 23.728 1.00 0.00 ATOM 515 C GLU A 69 11.939 98.141 22.856 1.00 0.00 ATOM 516 N LEU A 70 11.724 96.856 23.091 1.00 0.00 ATOM 517 CA LEU A 70 11.628 96.307 24.438 1.00 0.00 ATOM 518 CB LEU A 70 10.486 95.289 24.527 1.00 0.00 ATOM 519 CG LEU A 70 9.052 95.794 24.481 1.00 0.00 ATOM 520 CD1 LEU A 70 8.140 94.605 24.845 1.00 0.00 ATOM 521 CD2 LEU A 70 8.838 97.010 25.409 1.00 0.00 ATOM 522 O LEU A 70 13.478 95.014 23.772 1.00 0.00 ATOM 523 C LEU A 70 12.914 95.567 24.699 1.00 0.00 ATOM 524 N THR A 71 13.352 95.510 25.950 1.00 0.00 ATOM 525 CA THR A 71 14.426 94.600 26.354 1.00 0.00 ATOM 526 CB THR A 71 14.977 94.974 27.723 1.00 0.00 ATOM 527 CG2 THR A 71 15.433 96.456 27.779 1.00 0.00 ATOM 528 OG1 THR A 71 13.951 94.757 28.699 1.00 0.00 ATOM 529 O THR A 71 12.611 93.035 26.467 1.00 0.00 ATOM 530 C THR A 71 13.833 93.195 26.476 1.00 0.00 ATOM 531 N GLU A 72 14.668 92.174 26.617 1.00 0.00 ATOM 532 CA GLU A 72 14.138 90.813 26.819 1.00 0.00 ATOM 533 CB GLU A 72 15.267 89.773 26.846 1.00 0.00 ATOM 534 CG GLU A 72 14.794 88.306 26.911 1.00 0.00 ATOM 535 CD GLU A 72 13.756 87.962 25.826 1.00 0.00 ATOM 536 OE1 GLU A 72 13.987 88.326 24.654 1.00 0.00 ATOM 537 OE2 GLU A 72 12.711 87.343 26.142 1.00 0.00 ATOM 538 O GLU A 72 12.246 90.116 28.144 1.00 0.00 ATOM 539 C GLU A 72 13.309 90.723 28.116 1.00 0.00 ATOM 540 N ASP A 73 13.781 91.331 29.196 1.00 0.00 ATOM 541 CA ASP A 73 13.001 91.285 30.444 1.00 0.00 ATOM 542 CB ASP A 73 13.806 91.829 31.622 1.00 0.00 ATOM 543 CG ASP A 73 14.782 90.785 32.185 1.00 0.00 ATOM 544 OD1 ASP A 73 14.369 89.622 32.454 1.00 0.00 ATOM 545 OD2 ASP A 73 15.966 91.130 32.353 1.00 0.00 ATOM 546 O ASP A 73 10.631 91.454 30.831 1.00 0.00 ATOM 547 C ASP A 73 11.631 91.966 30.309 1.00 0.00 ATOM 548 N GLU A 74 11.573 93.077 29.565 1.00 0.00 ATOM 549 CA GLU A 74 10.290 93.723 29.272 1.00 0.00 ATOM 550 CB GLU A 74 10.483 95.070 28.591 1.00 0.00 ATOM 551 CG GLU A 74 11.280 96.039 29.441 1.00 0.00 ATOM 552 CD GLU A 74 11.571 97.386 28.770 1.00 0.00 ATOM 553 OE1 GLU A 74 11.574 97.493 27.532 1.00 0.00 ATOM 554 OE2 GLU A 74 11.821 98.347 29.513 1.00 0.00 ATOM 555 O GLU A 74 8.178 92.776 28.682 1.00 0.00 ATOM 556 C GLU A 74 9.376 92.838 28.427 1.00 0.00 ATOM 557 N PHE A 75 9.943 92.135 27.447 1.00 0.00 ATOM 558 CA PHE A 75 9.172 91.239 26.637 1.00 0.00 ATOM 559 CB PHE A 75 10.002 90.751 25.441 1.00 0.00 ATOM 560 CG PHE A 75 9.243 89.853 24.490 1.00 0.00 ATOM 561 CD1 PHE A 75 7.989 90.208 24.013 1.00 0.00 ATOM 562 CD2 PHE A 75 9.803 88.646 24.067 1.00 0.00 ATOM 563 CE1 PHE A 75 7.310 89.373 23.130 1.00 0.00 ATOM 564 CE2 PHE A 75 9.122 87.804 23.196 1.00 0.00 ATOM 565 CZ PHE A 75 7.883 88.168 22.726 1.00 0.00 ATOM 566 O PHE A 75 7.447 89.722 27.341 1.00 0.00 ATOM 567 C PHE A 75 8.632 90.069 27.464 1.00 0.00 ATOM 568 N LYS A 76 9.481 89.458 28.291 1.00 0.00 ATOM 569 CA LYS A 76 9.002 88.440 29.261 1.00 0.00 ATOM 570 CB LYS A 76 10.146 87.925 30.144 1.00 0.00 ATOM 571 CG LYS A 76 11.068 87.001 29.389 1.00 0.00 ATOM 572 CD LYS A 76 11.965 86.208 30.320 1.00 0.00 ATOM 573 CE LYS A 76 13.220 86.918 30.687 1.00 0.00 ATOM 574 NZ LYS A 76 13.985 86.037 31.630 1.00 0.00 ATOM 575 O LYS A 76 6.880 88.252 30.324 1.00 0.00 ATOM 576 C LYS A 76 7.868 88.953 30.133 1.00 0.00 ATOM 577 N TYR A 77 8.006 90.183 30.638 1.00 0.00 ATOM 578 CA TYR A 77 6.971 90.841 31.447 1.00 0.00 ATOM 579 CB TYR A 77 7.462 92.203 31.909 1.00 0.00 ATOM 580 CG TYR A 77 6.454 93.042 32.645 1.00 0.00 ATOM 581 CD1 TYR A 77 6.140 92.789 33.982 1.00 0.00 ATOM 582 CD2 TYR A 77 5.846 94.136 32.024 1.00 0.00 ATOM 583 CE1 TYR A 77 5.223 93.596 34.667 1.00 0.00 ATOM 584 CE2 TYR A 77 4.949 94.934 32.693 1.00 0.00 ATOM 585 CZ TYR A 77 4.642 94.665 34.012 1.00 0.00 ATOM 586 OH TYR A 77 3.760 95.476 34.670 1.00 0.00 ATOM 587 O TYR A 77 4.595 90.619 31.168 1.00 0.00 ATOM 588 C TYR A 77 5.664 90.998 30.670 1.00 0.00 ATOM 589 N PHE A 78 5.758 91.530 29.451 1.00 0.00 ATOM 590 CA PHE A 78 4.602 91.618 28.588 1.00 0.00 ATOM 591 CB PHE A 78 5.003 92.157 27.189 1.00 0.00 ATOM 592 CG PHE A 78 3.977 91.895 26.137 1.00 0.00 ATOM 593 CD1 PHE A 78 2.919 92.755 25.959 1.00 0.00 ATOM 594 CD2 PHE A 78 4.050 90.740 25.346 1.00 0.00 ATOM 595 CE1 PHE A 78 1.925 92.480 25.023 1.00 0.00 ATOM 596 CE2 PHE A 78 3.079 90.472 24.399 1.00 0.00 ATOM 597 CZ PHE A 78 2.021 91.373 24.235 1.00 0.00 ATOM 598 O PHE A 78 2.646 90.214 28.605 1.00 0.00 ATOM 599 C PHE A 78 3.876 90.275 28.486 1.00 0.00 ATOM 600 N LYS A 79 4.625 89.203 28.244 1.00 0.00 ATOM 601 CA LYS A 79 4.026 87.888 28.081 1.00 0.00 ATOM 602 CB LYS A 79 5.023 86.872 27.534 1.00 0.00 ATOM 603 CG LYS A 79 5.272 87.113 26.049 1.00 0.00 ATOM 604 CD LYS A 79 6.159 86.080 25.446 1.00 0.00 ATOM 605 CE LYS A 79 7.549 86.248 25.891 1.00 0.00 ATOM 606 NZ LYS A 79 8.278 85.104 25.364 1.00 0.00 ATOM 607 O LYS A 79 2.262 86.814 29.228 1.00 0.00 ATOM 608 C LYS A 79 3.353 87.378 29.338 1.00 0.00 ATOM 609 N ARG A 80 3.952 87.628 30.509 1.00 0.00 ATOM 610 CA ARG A 80 3.333 87.260 31.803 1.00 0.00 ATOM 611 CB ARG A 80 4.284 87.547 32.953 1.00 0.00 ATOM 612 CG ARG A 80 5.496 86.603 33.003 1.00 0.00 ATOM 613 CD ARG A 80 6.099 86.558 34.405 1.00 0.00 ATOM 614 NE ARG A 80 6.481 87.895 34.889 1.00 0.00 ATOM 615 CZ ARG A 80 7.595 88.509 34.518 1.00 0.00 ATOM 616 NH1 ARG A 80 8.444 87.911 33.695 1.00 0.00 ATOM 617 NH2 ARG A 80 7.887 89.693 34.983 1.00 0.00 ATOM 618 O ARG A 80 1.010 87.449 32.455 1.00 0.00 ATOM 619 C ARG A 80 2.018 88.020 32.021 1.00 0.00 ATOM 620 N GLN A 81 2.006 89.300 31.701 1.00 0.00 ATOM 621 CA GLN A 81 0.789 90.086 31.880 1.00 0.00 ATOM 622 CB GLN A 81 1.063 91.588 31.763 1.00 0.00 ATOM 623 CG GLN A 81 1.825 92.166 32.926 1.00 0.00 ATOM 624 CD GLN A 81 1.023 92.148 34.184 1.00 0.00 ATOM 625 OE1 GLN A 81 1.078 91.185 34.921 1.00 0.00 ATOM 626 NE2 GLN A 81 0.235 93.197 34.423 1.00 0.00 ATOM 627 O GLN A 81 -1.469 89.623 31.257 1.00 0.00 ATOM 628 C GLN A 81 -0.300 89.662 30.901 1.00 0.00 ATOM 629 N PHE A 82 0.086 89.400 29.672 1.00 0.00 ATOM 630 CA PHE A 82 -0.851 88.952 28.641 1.00 0.00 ATOM 631 CB PHE A 82 -0.109 88.884 27.306 1.00 0.00 ATOM 632 CG PHE A 82 -0.900 88.272 26.187 1.00 0.00 ATOM 633 CD1 PHE A 82 -2.271 88.460 26.089 1.00 0.00 ATOM 634 CD2 PHE A 82 -0.250 87.541 25.204 1.00 0.00 ATOM 635 CE1 PHE A 82 -2.999 87.894 25.045 1.00 0.00 ATOM 636 CE2 PHE A 82 -0.978 86.970 24.137 1.00 0.00 ATOM 637 CZ PHE A 82 -2.357 87.148 24.084 1.00 0.00 ATOM 638 O PHE A 82 -2.709 87.427 29.019 1.00 0.00 ATOM 639 C PHE A 82 -1.480 87.600 29.057 1.00 0.00 ATOM 640 N GLY A 83 -0.638 86.681 29.506 1.00 0.00 ATOM 641 CA GLY A 83 -1.095 85.392 30.070 1.00 0.00 ATOM 642 O GLY A 83 -3.146 84.942 31.249 1.00 0.00 ATOM 643 C GLY A 83 -2.070 85.575 31.225 1.00 0.00 ATOM 644 N PHE A 84 -1.714 86.444 32.181 1.00 0.00 ATOM 645 CA PHE A 84 -2.619 86.759 33.274 1.00 0.00 ATOM 646 CB PHE A 84 -2.030 87.759 34.284 1.00 0.00 ATOM 647 CG PHE A 84 -3.053 88.257 35.259 1.00 0.00 ATOM 648 CD1 PHE A 84 -3.561 87.406 36.220 1.00 0.00 ATOM 649 CD2 PHE A 84 -3.559 89.543 35.174 1.00 0.00 ATOM 650 CE1 PHE A 84 -4.520 87.814 37.076 1.00 0.00 ATOM 651 CE2 PHE A 84 -4.529 89.955 36.035 1.00 0.00 ATOM 652 CZ PHE A 84 -5.003 89.095 36.994 1.00 0.00 ATOM 653 O PHE A 84 -5.031 86.753 33.235 1.00 0.00 ATOM 654 C PHE A 84 -3.992 87.283 32.813 1.00 0.00 ATOM 655 N TYR A 85 -4.003 88.322 31.982 1.00 0.00 ATOM 656 CA TYR A 85 -5.258 88.963 31.601 1.00 0.00 ATOM 657 CB TYR A 85 -5.039 90.177 30.674 1.00 0.00 ATOM 658 CG TYR A 85 -4.385 91.356 31.369 1.00 0.00 ATOM 659 CD1 TYR A 85 -4.930 91.884 32.523 1.00 0.00 ATOM 660 CD2 TYR A 85 -3.227 91.924 30.875 1.00 0.00 ATOM 661 CE1 TYR A 85 -4.351 92.957 33.168 1.00 0.00 ATOM 662 CE2 TYR A 85 -2.643 93.021 31.513 1.00 0.00 ATOM 663 CZ TYR A 85 -3.215 93.524 32.651 1.00 0.00 ATOM 664 OH TYR A 85 -2.655 94.583 33.339 1.00 0.00 ATOM 665 O TYR A 85 -7.379 87.918 31.104 1.00 0.00 ATOM 666 C TYR A 85 -6.145 87.958 30.887 1.00 0.00 ATOM 667 N TYR A 86 -5.526 87.175 30.019 1.00 0.00 ATOM 668 CA TYR A 86 -6.311 86.237 29.180 1.00 0.00 ATOM 669 CB TYR A 86 -5.500 85.634 28.041 1.00 0.00 ATOM 670 CG TYR A 86 -6.437 84.803 27.157 1.00 0.00 ATOM 671 CD1 TYR A 86 -7.582 85.396 26.585 1.00 0.00 ATOM 672 CD2 TYR A 86 -6.229 83.438 26.968 1.00 0.00 ATOM 673 CE1 TYR A 86 -8.500 84.641 25.843 1.00 0.00 ATOM 674 CE2 TYR A 86 -7.128 82.675 26.189 1.00 0.00 ATOM 675 CZ TYR A 86 -8.269 83.301 25.649 1.00 0.00 ATOM 676 OH TYR A 86 -9.175 82.596 24.887 1.00 0.00 ATOM 677 O TYR A 86 -8.206 84.931 29.976 1.00 0.00 ATOM 678 C TYR A 86 -6.959 85.152 30.033 1.00 0.00 ATOM 679 N GLY A 87 -6.133 84.520 30.870 1.00 0.00 ATOM 680 CA GLY A 87 -6.626 83.637 31.927 1.00 0.00 ATOM 681 O GLY A 87 -8.726 83.495 33.035 1.00 0.00 ATOM 682 C GLY A 87 -7.811 84.216 32.687 1.00 0.00 ATOM 683 N GLU A 88 -7.811 85.512 32.941 1.00 0.00 ATOM 684 CA GLU A 88 -8.942 86.153 33.592 1.00 0.00 ATOM 685 CB GLU A 88 -8.528 87.531 34.115 1.00 0.00 ATOM 686 CG GLU A 88 -7.539 87.464 35.231 1.00 0.00 ATOM 687 CD GLU A 88 -8.173 86.979 36.507 1.00 0.00 ATOM 688 OE1 GLU A 88 -8.827 87.807 37.194 1.00 0.00 ATOM 689 OE2 GLU A 88 -8.015 85.775 36.800 1.00 0.00 ATOM 690 O GLU A 88 -11.283 86.381 33.134 1.00 0.00 ATOM 691 C GLU A 88 -10.156 86.346 32.675 1.00 0.00 ATOM 692 N ASN A 89 -9.903 86.520 31.395 1.00 0.00 ATOM 693 CA ASN A 89 -10.927 86.877 30.430 1.00 0.00 ATOM 694 CB ASN A 89 -10.417 88.022 29.525 1.00 0.00 ATOM 695 CG ASN A 89 -10.386 89.361 30.198 1.00 0.00 ATOM 696 ND2 ASN A 89 -9.474 90.228 29.735 1.00 0.00 ATOM 697 OD1 ASN A 89 -11.185 89.644 31.088 1.00 0.00 ATOM 698 O ASN A 89 -11.860 85.973 28.455 1.00 0.00 ATOM 699 C ASN A 89 -11.298 85.715 29.501 1.00 0.00 ATOM 700 N LEU A 90 -10.990 84.466 29.855 1.00 0.00 ATOM 701 CA LEU A 90 -11.271 83.299 28.988 1.00 0.00 ATOM 702 CB LEU A 90 -11.041 81.960 29.727 1.00 0.00 ATOM 703 CG LEU A 90 -9.670 81.304 29.788 1.00 0.00 ATOM 704 CD1 LEU A 90 -9.816 79.881 30.306 1.00 0.00 ATOM 705 CD2 LEU A 90 -8.991 81.275 28.493 1.00 0.00 ATOM 706 O LEU A 90 -12.963 82.743 27.368 1.00 0.00 ATOM 707 C LEU A 90 -12.704 83.233 28.471 1.00 0.00 ATOM 708 N CYS A 91 -13.646 83.656 29.299 1.00 0.00 ATOM 709 CA CYS A 91 -15.047 83.565 28.947 1.00 0.00 ATOM 710 CB CYS A 91 -15.663 82.326 29.599 1.00 0.00 ATOM 711 SG CYS A 91 -17.461 82.164 29.412 1.00 0.00 ATOM 712 O CYS A 91 -16.725 84.753 30.121 1.00 0.00 ATOM 713 C CYS A 91 -15.747 84.818 29.396 1.00 0.00 ATOM 714 N ASN A 92 -15.224 85.953 28.978 1.00 0.00 ATOM 715 CA ASN A 92 -15.777 87.232 29.343 1.00 0.00 ATOM 716 CB ASN A 92 -14.646 88.213 29.680 1.00 0.00 ATOM 717 CG ASN A 92 -15.142 89.602 29.917 1.00 0.00 ATOM 718 ND2 ASN A 92 -14.320 90.591 29.621 1.00 0.00 ATOM 719 OD1 ASN A 92 -16.257 89.785 30.356 1.00 0.00 ATOM 720 O ASN A 92 -17.853 87.634 28.252 1.00 0.00 ATOM 721 C ASN A 92 -16.634 87.717 28.190 1.00 0.00 ATOM 722 N ILE A 93 -15.994 88.197 27.127 1.00 0.00 ATOM 723 CA ILE A 93 -16.696 88.636 25.919 1.00 0.00 ATOM 724 CB ILE A 93 -15.948 89.793 25.212 1.00 0.00 ATOM 725 CG1 ILE A 93 -15.757 90.964 26.161 1.00 0.00 ATOM 726 CG2 ILE A 93 -16.759 90.314 24.028 1.00 0.00 ATOM 727 CD1 ILE A 93 -17.037 91.434 26.729 1.00 0.00 ATOM 728 O ILE A 93 -17.646 87.561 24.005 1.00 0.00 ATOM 729 C ILE A 93 -16.832 87.495 24.910 1.00 0.00 ATOM 730 N SER A 94 -16.001 86.475 25.069 1.00 0.00 ATOM 731 CA SER A 94 -16.020 85.304 24.208 1.00 0.00 ATOM 732 CB SER A 94 -14.852 84.385 24.574 1.00 0.00 ATOM 733 OG SER A 94 -13.643 85.082 24.324 1.00 0.00 ATOM 734 O SER A 94 -17.944 84.373 25.318 1.00 0.00 ATOM 735 C SER A 94 -17.343 84.535 24.256 1.00 0.00 ATOM 736 N ARG A 95 -17.780 84.054 23.087 1.00 0.00 ATOM 737 CA ARG A 95 -18.967 83.236 22.979 1.00 0.00 ATOM 738 CB ARG A 95 -20.119 84.101 22.477 1.00 0.00 ATOM 739 CG ARG A 95 -20.495 85.223 23.438 1.00 0.00 ATOM 740 CD ARG A 95 -21.299 84.750 24.640 1.00 0.00 ATOM 741 NE ARG A 95 -21.661 85.948 25.399 1.00 0.00 ATOM 742 CZ ARG A 95 -20.874 86.541 26.290 1.00 0.00 ATOM 743 NH1 ARG A 95 -19.692 86.011 26.605 1.00 0.00 ATOM 744 NH2 ARG A 95 -21.286 87.647 26.903 1.00 0.00 ATOM 745 O ARG A 95 -17.953 82.250 21.084 1.00 0.00 ATOM 746 C ARG A 95 -18.778 82.130 21.967 1.00 0.00 ATOM 747 N LEU A 96 -19.558 81.069 22.093 1.00 0.00 ATOM 748 CA LEU A 96 -19.569 79.992 21.087 1.00 0.00 ATOM 749 CB LEU A 96 -20.467 78.853 21.573 1.00 0.00 ATOM 750 CG LEU A 96 -19.997 78.013 22.760 1.00 0.00 ATOM 751 CD1 LEU A 96 -20.993 76.917 23.004 1.00 0.00 ATOM 752 CD2 LEU A 96 -18.616 77.480 22.539 1.00 0.00 ATOM 753 O LEU A 96 -20.992 81.424 19.823 1.00 0.00 ATOM 754 C LEU A 96 -20.118 80.524 19.796 1.00 0.00 ATOM 755 N TYR A 97 -19.682 79.970 18.661 1.00 0.00 ATOM 756 CA TYR A 97 -20.269 80.366 17.384 1.00 0.00 ATOM 757 CB TYR A 97 -19.419 79.958 16.202 1.00 0.00 ATOM 758 CG TYR A 97 -18.210 80.838 16.008 1.00 0.00 ATOM 759 CD1 TYR A 97 -18.306 82.050 15.339 1.00 0.00 ATOM 760 CD2 TYR A 97 -16.976 80.457 16.480 1.00 0.00 ATOM 761 CE1 TYR A 97 -17.184 82.859 15.152 1.00 0.00 ATOM 762 CE2 TYR A 97 -15.835 81.282 16.290 1.00 0.00 ATOM 763 CZ TYR A 97 -15.956 82.459 15.610 1.00 0.00 ATOM 764 OH TYR A 97 -14.849 83.274 15.422 1.00 0.00 ATOM 765 O TYR A 97 -22.012 78.858 18.079 1.00 0.00 ATOM 766 C TYR A 97 -21.679 79.745 17.294 1.00 0.00 ATOM 767 N PRO A 98 -22.519 80.242 16.401 1.00 0.00 ATOM 768 CA PRO A 98 -23.915 79.762 16.320 1.00 0.00 ATOM 769 CB PRO A 98 -24.469 80.497 15.077 1.00 0.00 ATOM 770 CG PRO A 98 -23.695 81.794 15.078 1.00 0.00 ATOM 771 CD PRO A 98 -22.266 81.335 15.438 1.00 0.00 ATOM 772 O PRO A 98 -23.309 77.619 15.360 1.00 0.00 ATOM 773 C PRO A 98 -24.043 78.241 16.155 1.00 0.00 ATOM 774 N ASN A 99 -24.916 77.653 16.963 1.00 0.00 ATOM 775 CA ASN A 99 -25.252 76.221 16.916 1.00 0.00 ATOM 776 CB ASN A 99 -25.805 75.862 15.536 1.00 0.00 ATOM 777 CG ASN A 99 -26.920 76.754 15.105 1.00 0.00 ATOM 778 ND2 ASN A 99 -27.922 76.854 15.915 1.00 0.00 ATOM 779 OD1 ASN A 99 -26.885 77.343 14.006 1.00 0.00 ATOM 780 O ASN A 99 -24.257 74.071 17.068 1.00 0.00 ATOM 781 C ASN A 99 -24.128 75.259 17.277 1.00 0.00 ATOM 782 N VAL A 100 -23.040 75.740 17.880 1.00 0.00 ATOM 783 CA VAL A 100 -21.905 74.869 18.146 1.00 0.00 ATOM 784 CB VAL A 100 -20.671 75.638 18.658 1.00 0.00 ATOM 785 CG1 VAL A 100 -19.654 74.677 19.304 1.00 0.00 ATOM 786 CG2 VAL A 100 -19.999 76.401 17.520 1.00 0.00 ATOM 787 O VAL A 100 -22.002 72.596 18.891 1.00 0.00 ATOM 788 C VAL A 100 -22.278 73.765 19.140 1.00 0.00 ATOM 789 N LYS A 101 -22.941 74.101 20.239 1.00 0.00 ATOM 790 CA LYS A 101 -23.205 73.067 21.239 1.00 0.00 ATOM 791 CB LYS A 101 -23.700 73.684 22.547 1.00 0.00 ATOM 792 CG LYS A 101 -23.913 72.704 23.682 1.00 0.00 ATOM 793 CD LYS A 101 -23.900 73.497 24.996 1.00 0.00 ATOM 794 CE LYS A 101 -23.702 72.593 26.189 1.00 0.00 ATOM 795 NZ LYS A 101 -24.952 71.876 26.450 1.00 0.00 ATOM 796 O LYS A 101 -24.010 70.842 20.906 1.00 0.00 ATOM 797 C LYS A 101 -24.216 72.038 20.746 1.00 0.00 ATOM 798 N GLU A 102 -25.323 72.506 20.180 1.00 0.00 ATOM 799 CA GLU A 102 -26.320 71.632 19.622 1.00 0.00 ATOM 800 CB GLU A 102 -27.449 72.468 18.992 1.00 0.00 ATOM 801 CG GLU A 102 -28.471 71.577 18.326 1.00 0.00 ATOM 802 CD GLU A 102 -29.803 72.259 17.864 1.00 0.00 ATOM 803 OE1 GLU A 102 -29.865 73.515 17.615 1.00 0.00 ATOM 804 OE2 GLU A 102 -30.784 71.465 17.724 1.00 0.00 ATOM 805 O GLU A 102 -26.198 69.473 18.481 1.00 0.00 ATOM 806 C GLU A 102 -25.757 70.649 18.583 1.00 0.00 ATOM 807 N THR A 103 -24.841 71.145 17.756 1.00 0.00 ATOM 808 CA THR A 103 -24.227 70.339 16.678 1.00 0.00 ATOM 809 CB THR A 103 -23.511 71.230 15.644 1.00 0.00 ATOM 810 CG2 THR A 103 -22.864 70.409 14.469 1.00 0.00 ATOM 811 OG1 THR A 103 -24.472 72.168 15.119 1.00 0.00 ATOM 812 O THR A 103 -23.363 68.155 16.890 1.00 0.00 ATOM 813 C THR A 103 -23.283 69.298 17.269 1.00 0.00 ATOM 814 N LEU A 104 -22.424 69.684 18.213 1.00 0.00 ATOM 815 CA LEU A 104 -21.521 68.740 18.858 1.00 0.00 ATOM 816 CB LEU A 104 -20.568 69.471 19.807 1.00 0.00 ATOM 817 CG LEU A 104 -19.542 70.486 19.298 1.00 0.00 ATOM 818 CD1 LEU A 104 -18.971 71.269 20.524 1.00 0.00 ATOM 819 CD2 LEU A 104 -18.430 69.796 18.563 1.00 0.00 ATOM 820 O LEU A 104 -21.909 66.461 19.586 1.00 0.00 ATOM 821 C LEU A 104 -22.301 67.646 19.588 1.00 0.00 ATOM 822 N GLU A 105 -23.419 68.018 20.203 1.00 0.00 ATOM 823 CA GLU A 105 -24.261 67.026 20.900 1.00 0.00 ATOM 824 CB GLU A 105 -25.342 67.742 21.740 1.00 0.00 ATOM 825 CG GLU A 105 -24.756 68.327 23.033 1.00 0.00 ATOM 826 CD GLU A 105 -25.630 69.351 23.733 1.00 0.00 ATOM 827 OE1 GLU A 105 -26.719 69.689 23.191 1.00 0.00 ATOM 828 OE2 GLU A 105 -25.202 69.817 24.830 1.00 0.00 ATOM 829 O GLU A 105 -24.899 64.839 20.188 1.00 0.00 ATOM 830 C GLU A 105 -24.858 66.032 19.921 1.00 0.00 ATOM 831 N ALA A 106 -25.302 66.526 18.766 1.00 0.00 ATOM 832 CA ALA A 106 -25.857 65.691 17.706 1.00 0.00 ATOM 833 CB ALA A 106 -26.378 66.555 16.560 1.00 0.00 ATOM 834 O ALA A 106 -25.134 63.507 16.953 1.00 0.00 ATOM 835 C ALA A 106 -24.824 64.688 17.178 1.00 0.00 ATOM 836 N LEU A 107 -23.617 65.173 16.945 1.00 0.00 ATOM 837 CA LEU A 107 -22.543 64.330 16.419 1.00 0.00 ATOM 838 CB LEU A 107 -21.324 65.175 16.081 1.00 0.00 ATOM 839 CG LEU A 107 -21.479 66.155 14.909 1.00 0.00 ATOM 840 CD1 LEU A 107 -20.273 67.066 14.818 1.00 0.00 ATOM 841 CD2 LEU A 107 -21.749 65.439 13.536 1.00 0.00 ATOM 842 O LEU A 107 -21.887 62.125 17.075 1.00 0.00 ATOM 843 C LEU A 107 -22.161 63.249 17.447 1.00 0.00 ATOM 844 N LYS A 108 -22.118 63.618 18.722 1.00 0.00 ATOM 845 CA LYS A 108 -21.811 62.672 19.809 1.00 0.00 ATOM 846 CB LYS A 108 -21.683 63.406 21.140 1.00 0.00 ATOM 847 CG LYS A 108 -21.315 62.549 22.342 1.00 0.00 ATOM 848 CD LYS A 108 -19.838 62.675 22.686 1.00 0.00 ATOM 849 CE LYS A 108 -19.312 61.453 23.426 1.00 0.00 ATOM 850 NZ LYS A 108 -18.726 60.491 22.422 1.00 0.00 ATOM 851 O LYS A 108 -22.625 60.416 19.942 1.00 0.00 ATOM 852 C LYS A 108 -22.910 61.609 19.863 1.00 0.00 ATOM 853 N ALA A 109 -24.160 62.043 19.766 1.00 0.00 ATOM 854 CA ALA A 109 -25.305 61.122 19.737 1.00 0.00 ATOM 855 CB ALA A 109 -26.644 61.896 19.678 1.00 0.00 ATOM 856 O ALA A 109 -25.735 59.028 18.709 1.00 0.00 ATOM 857 C ALA A 109 -25.237 60.122 18.587 1.00 0.00 ATOM 858 N GLN A 110 -24.646 60.506 17.466 1.00 0.00 ATOM 859 CA GLN A 110 -24.492 59.619 16.321 1.00 0.00 ATOM 860 CB GLN A 110 -24.195 60.416 15.055 1.00 0.00 ATOM 861 CG GLN A 110 -25.292 61.317 14.538 1.00 0.00 ATOM 862 CD GLN A 110 -24.918 61.914 13.186 1.00 0.00 ATOM 863 OE1 GLN A 110 -25.144 61.294 12.148 1.00 0.00 ATOM 864 NE2 GLN A 110 -24.333 63.102 13.193 1.00 0.00 ATOM 865 O GLN A 110 -23.222 57.732 15.658 1.00 0.00 ATOM 866 C GLN A 110 -23.348 58.609 16.488 1.00 0.00 ATOM 867 N GLY A 111 -22.507 58.753 17.514 1.00 0.00 ATOM 868 CA GLY A 111 -21.389 57.830 17.758 1.00 0.00 ATOM 869 O GLY A 111 -19.061 57.520 17.412 1.00 0.00 ATOM 870 C GLY A 111 -20.021 58.276 17.305 1.00 0.00 ATOM 871 N TYR A 112 -19.880 59.517 16.852 1.00 0.00 ATOM 872 CA TYR A 112 -18.557 60.009 16.478 1.00 0.00 ATOM 873 CB TYR A 112 -18.676 61.288 15.647 1.00 0.00 ATOM 874 CG TYR A 112 -19.278 61.069 14.283 1.00 0.00 ATOM 875 CD1 TYR A 112 -18.526 60.490 13.271 1.00 0.00 ATOM 876 CD2 TYR A 112 -20.572 61.423 14.006 1.00 0.00 ATOM 877 CE1 TYR A 112 -19.067 60.289 12.033 1.00 0.00 ATOM 878 CE2 TYR A 112 -21.131 61.193 12.772 1.00 0.00 ATOM 879 CZ TYR A 112 -20.373 60.655 11.787 1.00 0.00 ATOM 880 OH TYR A 112 -20.910 60.454 10.553 1.00 0.00 ATOM 881 O TYR A 112 -18.215 60.804 18.683 1.00 0.00 ATOM 882 C TYR A 112 -17.727 60.282 17.702 1.00 0.00 ATOM 883 N ILE A 113 -16.457 59.926 17.628 1.00 0.00 ATOM 884 CA ILE A 113 -15.474 60.355 18.589 1.00 0.00 ATOM 885 CB ILE A 113 -14.167 59.562 18.447 1.00 0.00 ATOM 886 CG1 ILE A 113 -14.365 58.050 18.656 1.00 0.00 ATOM 887 CG2 ILE A 113 -13.095 60.192 19.397 1.00 0.00 ATOM 888 CD1 ILE A 113 -13.253 57.145 18.037 1.00 0.00 ATOM 889 O ILE A 113 -14.972 62.145 17.062 1.00 0.00 ATOM 890 C ILE A 113 -15.177 61.826 18.243 1.00 0.00 ATOM 891 N LEU A 114 -15.116 62.715 19.240 1.00 0.00 ATOM 892 CA LEU A 114 -14.872 64.142 18.975 1.00 0.00 ATOM 893 CB LEU A 114 -16.022 65.006 19.486 1.00 0.00 ATOM 894 CG LEU A 114 -17.429 64.635 18.994 1.00 0.00 ATOM 895 CD1 LEU A 114 -18.500 65.531 19.632 1.00 0.00 ATOM 896 CD2 LEU A 114 -17.462 64.680 17.481 1.00 0.00 ATOM 897 O LEU A 114 -13.294 64.093 20.783 1.00 0.00 ATOM 898 C LEU A 114 -13.582 64.554 19.667 1.00 0.00 ATOM 899 N ALA A 115 -12.798 65.373 18.988 1.00 0.00 ATOM 900 CA ALA A 115 -11.492 65.832 19.447 1.00 0.00 ATOM 901 CB ALA A 115 -10.381 64.959 18.829 1.00 0.00 ATOM 902 O ALA A 115 -11.718 67.821 18.102 1.00 0.00 ATOM 903 C ALA A 115 -11.257 67.294 19.131 1.00 0.00 ATOM 904 N VAL A 116 -10.533 67.988 20.017 1.00 0.00 ATOM 905 CA VAL A 116 -10.052 69.321 19.726 1.00 0.00 ATOM 906 CB VAL A 116 -10.372 70.293 20.878 1.00 0.00 ATOM 907 CG1 VAL A 116 -9.570 71.619 20.702 1.00 0.00 ATOM 908 CG2 VAL A 116 -11.871 70.546 20.975 1.00 0.00 ATOM 909 O VAL A 116 -7.804 68.618 20.183 1.00 0.00 ATOM 910 C VAL A 116 -8.536 69.276 19.460 1.00 0.00 ATOM 911 N VAL A 117 -8.105 69.962 18.392 1.00 0.00 ATOM 912 CA VAL A 117 -6.707 70.085 18.053 1.00 0.00 ATOM 913 CB VAL A 117 -6.307 69.248 16.829 1.00 0.00 ATOM 914 CG1 VAL A 117 -4.794 69.407 16.570 1.00 0.00 ATOM 915 CG2 VAL A 117 -6.723 67.792 17.006 1.00 0.00 ATOM 916 O VAL A 117 -6.995 72.077 16.732 1.00 0.00 ATOM 917 C VAL A 117 -6.497 71.555 17.741 1.00 0.00 ATOM 918 N THR A 118 -5.824 72.238 18.654 1.00 0.00 ATOM 919 CA THR A 118 -5.615 73.675 18.534 1.00 0.00 ATOM 920 CB THR A 118 -6.599 74.446 19.450 1.00 0.00 ATOM 921 CG2 THR A 118 -6.520 73.997 20.910 1.00 0.00 ATOM 922 OG1 THR A 118 -6.335 75.839 19.366 1.00 0.00 ATOM 923 O THR A 118 -3.436 73.307 19.523 1.00 0.00 ATOM 924 C THR A 118 -4.159 74.046 18.861 1.00 0.00 ATOM 925 N ASN A 119 -3.753 75.210 18.373 1.00 0.00 ATOM 926 CA ASN A 119 -2.466 75.784 18.699 1.00 0.00 ATOM 927 CB ASN A 119 -1.913 76.532 17.479 1.00 0.00 ATOM 928 CG ASN A 119 -1.413 75.585 16.394 1.00 0.00 ATOM 929 ND2 ASN A 119 -1.062 76.139 15.237 1.00 0.00 ATOM 930 OD1 ASN A 119 -1.356 74.384 16.599 1.00 0.00 ATOM 931 O ASN A 119 -1.543 77.140 20.448 1.00 0.00 ATOM 932 C ASN A 119 -2.550 76.698 19.930 1.00 0.00 ATOM 933 N LYS A 120 -3.774 76.935 20.400 1.00 0.00 ATOM 934 CA LYS A 120 -4.003 77.627 21.647 1.00 0.00 ATOM 935 CB LYS A 120 -5.530 77.607 21.974 1.00 0.00 ATOM 936 CG LYS A 120 -5.932 78.433 23.212 1.00 0.00 ATOM 937 CD LYS A 120 -7.443 78.363 23.457 1.00 0.00 ATOM 938 CE LYS A 120 -7.970 79.635 24.120 1.00 0.00 ATOM 939 NZ LYS A 120 -7.788 80.842 23.281 1.00 0.00 ATOM 940 O LYS A 120 -3.162 75.672 22.778 1.00 0.00 ATOM 941 C LYS A 120 -3.239 76.914 22.776 1.00 0.00 ATOM 942 N PRO A 121 -2.647 77.663 23.737 1.00 0.00 ATOM 943 CA PRO A 121 -1.960 76.924 24.821 1.00 0.00 ATOM 944 CB PRO A 121 -1.575 78.034 25.817 1.00 0.00 ATOM 945 CG PRO A 121 -1.414 79.240 24.969 1.00 0.00 ATOM 946 CD PRO A 121 -2.461 79.121 23.873 1.00 0.00 ATOM 947 O PRO A 121 -3.978 76.059 25.816 1.00 0.00 ATOM 948 C PRO A 121 -2.778 75.846 25.486 1.00 0.00 ATOM 949 N THR A 122 -2.129 74.696 25.712 1.00 0.00 ATOM 950 CA THR A 122 -2.800 73.522 26.251 1.00 0.00 ATOM 951 CB THR A 122 -1.806 72.353 26.466 1.00 0.00 ATOM 952 CG2 THR A 122 -2.531 71.145 26.992 1.00 0.00 ATOM 953 OG1 THR A 122 -1.141 72.054 25.234 1.00 0.00 ATOM 954 O THR A 122 -4.625 73.438 27.796 1.00 0.00 ATOM 955 C THR A 122 -3.486 73.858 27.561 1.00 0.00 ATOM 956 N LYS A 123 -2.841 74.674 28.380 1.00 0.00 ATOM 957 CA LYS A 123 -3.429 75.023 29.674 1.00 0.00 ATOM 958 CB LYS A 123 -2.521 75.961 30.458 1.00 0.00 ATOM 959 CG LYS A 123 -2.281 77.304 29.849 1.00 0.00 ATOM 960 CD LYS A 123 -1.364 78.102 30.754 1.00 0.00 ATOM 961 CE LYS A 123 -0.811 79.312 30.042 1.00 0.00 ATOM 962 NZ LYS A 123 0.200 80.025 30.881 1.00 0.00 ATOM 963 O LYS A 123 -5.547 75.540 30.552 1.00 0.00 ATOM 964 C LYS A 123 -4.796 75.666 29.605 1.00 0.00 ATOM 965 N HIS A 124 -5.086 76.395 28.518 1.00 0.00 ATOM 966 CA HIS A 124 -6.389 77.053 28.346 1.00 0.00 ATOM 967 CB HIS A 124 -6.256 78.299 27.455 1.00 0.00 ATOM 968 CG HIS A 124 -5.307 79.338 27.988 1.00 0.00 ATOM 969 CD2 HIS A 124 -4.364 80.089 27.366 1.00 0.00 ATOM 970 ND1 HIS A 124 -5.289 79.726 29.307 1.00 0.00 ATOM 971 CE1 HIS A 124 -4.367 80.657 29.485 1.00 0.00 ATOM 972 NE2 HIS A 124 -3.785 80.890 28.324 1.00 0.00 ATOM 973 O HIS A 124 -8.634 76.526 27.767 1.00 0.00 ATOM 974 C HIS A 124 -7.475 76.159 27.730 1.00 0.00 ATOM 975 N VAL A 125 -7.120 74.996 27.172 1.00 0.00 ATOM 976 CA VAL A 125 -8.090 74.226 26.422 1.00 0.00 ATOM 977 CB VAL A 125 -7.402 73.195 25.469 1.00 0.00 ATOM 978 CG1 VAL A 125 -8.459 72.424 24.709 1.00 0.00 ATOM 979 CG2 VAL A 125 -6.402 73.909 24.523 1.00 0.00 ATOM 980 O VAL A 125 -10.423 73.920 27.069 1.00 0.00 ATOM 981 C VAL A 125 -9.217 73.627 27.281 1.00 0.00 ATOM 982 N GLN A 126 -8.891 72.815 28.276 1.00 0.00 ATOM 983 CA GLN A 126 -9.972 72.251 29.055 1.00 0.00 ATOM 984 CB GLN A 126 -9.504 71.101 29.934 1.00 0.00 ATOM 985 CG GLN A 126 -10.661 70.251 30.464 1.00 0.00 ATOM 986 CD GLN A 126 -10.193 68.990 31.145 1.00 0.00 ATOM 987 OE1 GLN A 126 -9.354 68.252 30.613 1.00 0.00 ATOM 988 NE2 GLN A 126 -10.737 68.722 32.327 1.00 0.00 ATOM 989 O GLN A 126 -12.002 73.178 29.933 1.00 0.00 ATOM 990 C GLN A 126 -10.781 73.307 29.836 1.00 0.00 ATOM 991 N PRO A 127 -10.117 74.322 30.424 1.00 0.00 ATOM 992 CA PRO A 127 -10.860 75.439 31.043 1.00 0.00 ATOM 993 CB PRO A 127 -9.744 76.396 31.507 1.00 0.00 ATOM 994 CG PRO A 127 -8.616 75.490 31.789 1.00 0.00 ATOM 995 CD PRO A 127 -8.668 74.450 30.703 1.00 0.00 ATOM 996 O PRO A 127 -12.991 76.327 30.539 1.00 0.00 ATOM 997 C PRO A 127 -11.856 76.167 30.131 1.00 0.00 ATOM 998 N ILE A 128 -11.456 76.549 28.915 1.00 0.00 ATOM 999 CA ILE A 128 -12.380 77.291 28.032 1.00 0.00 ATOM 1000 CB ILE A 128 -11.681 77.993 26.824 1.00 0.00 ATOM 1001 CG1 ILE A 128 -12.550 79.141 26.291 1.00 0.00 ATOM 1002 CG2 ILE A 128 -11.407 76.998 25.672 1.00 0.00 ATOM 1003 CD1 ILE A 128 -11.877 80.147 25.328 1.00 0.00 ATOM 1004 O ILE A 128 -14.677 76.826 27.637 1.00 0.00 ATOM 1005 C ILE A 128 -13.550 76.391 27.616 1.00 0.00 ATOM 1006 N LEU A 129 -13.290 75.115 27.308 1.00 0.00 ATOM 1007 CA LEU A 129 -14.353 74.151 26.971 1.00 0.00 ATOM 1008 CB LEU A 129 -13.702 72.836 26.475 1.00 0.00 ATOM 1009 CG LEU A 129 -12.898 72.864 25.140 1.00 0.00 ATOM 1010 CD1 LEU A 129 -12.222 71.508 24.831 1.00 0.00 ATOM 1011 CD2 LEU A 129 -13.786 73.302 23.923 1.00 0.00 ATOM 1012 O LEU A 129 -16.580 73.737 27.980 1.00 0.00 ATOM 1013 C LEU A 129 -15.330 73.883 28.146 1.00 0.00 ATOM 1014 N THR A 130 -14.753 73.817 29.346 1.00 0.00 ATOM 1015 CA THR A 130 -15.522 73.667 30.569 1.00 0.00 ATOM 1016 CB THR A 130 -14.638 73.365 31.778 1.00 0.00 ATOM 1017 CG2 THR A 130 -15.522 73.145 33.054 1.00 0.00 ATOM 1018 OG1 THR A 130 -13.852 72.189 31.491 1.00 0.00 ATOM 1019 O THR A 130 -17.574 74.763 30.993 1.00 0.00 ATOM 1020 C THR A 130 -16.376 74.904 30.787 1.00 0.00 ATOM 1021 N ALA A 131 -15.798 76.099 30.645 1.00 0.00 ATOM 1022 CA ALA A 131 -16.563 77.353 30.779 1.00 0.00 ATOM 1023 CB ALA A 131 -15.659 78.574 30.576 1.00 0.00 ATOM 1024 O ALA A 131 -18.798 78.040 30.174 1.00 0.00 ATOM 1025 C ALA A 131 -17.776 77.449 29.827 1.00 0.00 ATOM 1026 N PHE A 132 -17.663 76.871 28.632 1.00 0.00 ATOM 1027 CA PHE A 132 -18.757 76.876 27.674 1.00 0.00 ATOM 1028 CB PHE A 132 -18.222 77.223 26.268 1.00 0.00 ATOM 1029 CG PHE A 132 -17.805 78.657 26.138 1.00 0.00 ATOM 1030 CD1 PHE A 132 -18.743 79.656 26.010 1.00 0.00 ATOM 1031 CD2 PHE A 132 -16.472 79.021 26.173 1.00 0.00 ATOM 1032 CE1 PHE A 132 -18.365 80.967 25.940 1.00 0.00 ATOM 1033 CE2 PHE A 132 -16.085 80.352 26.085 1.00 0.00 ATOM 1034 CZ PHE A 132 -17.034 81.328 25.985 1.00 0.00 ATOM 1035 O PHE A 132 -20.502 75.429 26.853 1.00 0.00 ATOM 1036 C PHE A 132 -19.621 75.590 27.685 1.00 0.00 ATOM 1037 N GLY A 133 -19.386 74.698 28.642 1.00 0.00 ATOM 1038 CA GLY A 133 -20.237 73.543 28.837 1.00 0.00 ATOM 1039 O GLY A 133 -21.099 71.717 27.576 1.00 0.00 ATOM 1040 C GLY A 133 -20.133 72.446 27.793 1.00 0.00 ATOM 1041 N ILE A 134 -18.985 72.328 27.137 1.00 0.00 ATOM 1042 CA ILE A 134 -18.805 71.313 26.059 1.00 0.00 ATOM 1043 CB ILE A 134 -18.764 72.006 24.647 1.00 0.00 ATOM 1044 CG1 ILE A 134 -17.624 73.030 24.581 1.00 0.00 ATOM 1045 CG2 ILE A 134 -20.131 72.686 24.355 1.00 0.00 ATOM 1046 CD1 ILE A 134 -17.325 73.607 23.160 1.00 0.00 ATOM 1047 O ILE A 134 -17.352 69.483 25.432 1.00 0.00 ATOM 1048 C ILE A 134 -17.605 70.384 26.258 1.00 0.00 ATOM 1049 N ASP A 135 -16.890 70.553 27.375 1.00 0.00 ATOM 1050 CA ASP A 135 -15.719 69.698 27.675 1.00 0.00 ATOM 1051 CB ASP A 135 -15.040 70.096 28.992 1.00 0.00 ATOM 1052 CG ASP A 135 -15.986 70.022 30.182 1.00 0.00 ATOM 1053 OD1 ASP A 135 -17.015 70.733 30.150 1.00 0.00 ATOM 1054 OD2 ASP A 135 -15.719 69.218 31.111 1.00 0.00 ATOM 1055 O ASP A 135 -15.327 67.363 27.298 1.00 0.00 ATOM 1056 C ASP A 135 -16.090 68.215 27.728 1.00 0.00 ATOM 1057 N HIS A 136 -17.275 67.896 28.221 1.00 0.00 ATOM 1058 CA HIS A 136 -17.675 66.497 28.333 1.00 0.00 ATOM 1059 CB HIS A 136 -18.943 66.401 29.146 1.00 0.00 ATOM 1060 CG HIS A 136 -20.135 66.975 28.467 1.00 0.00 ATOM 1061 CD2 HIS A 136 -21.229 66.388 27.939 1.00 0.00 ATOM 1062 ND1 HIS A 136 -20.298 68.325 28.288 1.00 0.00 ATOM 1063 CE1 HIS A 136 -21.441 68.548 27.665 1.00 0.00 ATOM 1064 NE2 HIS A 136 -22.030 67.390 27.454 1.00 0.00 ATOM 1065 O HIS A 136 -17.956 64.527 26.983 1.00 0.00 ATOM 1066 C HIS A 136 -17.858 65.743 27.003 1.00 0.00 ATOM 1067 N LEU A 137 -17.900 66.463 25.897 1.00 0.00 ATOM 1068 CA LEU A 137 -18.146 65.873 24.599 1.00 0.00 ATOM 1069 CB LEU A 137 -18.833 66.908 23.704 1.00 0.00 ATOM 1070 CG LEU A 137 -20.233 67.328 24.153 1.00 0.00 ATOM 1071 CD1 LEU A 137 -20.650 68.593 23.449 1.00 0.00 ATOM 1072 CD2 LEU A 137 -21.236 66.169 23.981 1.00 0.00 ATOM 1073 O LEU A 137 -16.970 64.529 22.997 1.00 0.00 ATOM 1074 C LEU A 137 -16.869 65.334 23.909 1.00 0.00 ATOM 1075 N PHE A 138 -15.697 65.736 24.390 1.00 0.00 ATOM 1076 CA PHE A 138 -14.438 65.476 23.705 1.00 0.00 ATOM 1077 CB PHE A 138 -13.624 66.746 23.621 1.00 0.00 ATOM 1078 CG PHE A 138 -14.289 67.831 22.802 1.00 0.00 ATOM 1079 CD1 PHE A 138 -14.315 67.768 21.415 1.00 0.00 ATOM 1080 CD2 PHE A 138 -14.947 68.876 23.422 1.00 0.00 ATOM 1081 CE1 PHE A 138 -14.913 68.761 20.642 1.00 0.00 ATOM 1082 CE2 PHE A 138 -15.562 69.883 22.661 1.00 0.00 ATOM 1083 CZ PHE A 138 -15.546 69.820 21.276 1.00 0.00 ATOM 1084 O PHE A 138 -13.403 64.336 25.530 1.00 0.00 ATOM 1085 C PHE A 138 -13.604 64.368 24.324 1.00 0.00 ATOM 1086 N SER A 139 -13.104 63.497 23.470 1.00 0.00 ATOM 1087 CA SER A 139 -12.323 62.343 23.887 1.00 0.00 ATOM 1088 CB SER A 139 -12.589 61.175 22.978 1.00 0.00 ATOM 1089 OG SER A 139 -13.946 60.755 23.067 1.00 0.00 ATOM 1090 O SER A 139 -10.072 61.942 24.503 1.00 0.00 ATOM 1091 C SER A 139 -10.842 62.652 23.891 1.00 0.00 ATOM 1092 N GLU A 140 -10.451 63.711 23.207 1.00 0.00 ATOM 1093 CA GLU A 140 -9.081 64.163 23.185 1.00 0.00 ATOM 1094 CB GLU A 140 -8.329 63.460 22.036 1.00 0.00 ATOM 1095 CG GLU A 140 -6.851 63.785 21.997 1.00 0.00 ATOM 1096 CD GLU A 140 -6.161 63.430 23.307 1.00 0.00 ATOM 1097 OE1 GLU A 140 -6.136 64.275 24.241 1.00 0.00 ATOM 1098 OE2 GLU A 140 -5.665 62.314 23.410 1.00 0.00 ATOM 1099 O GLU A 140 -9.945 66.236 22.314 1.00 0.00 ATOM 1100 C GLU A 140 -9.082 65.688 23.004 1.00 0.00 ATOM 1101 N MET A 141 -8.139 66.374 23.649 1.00 0.00 ATOM 1102 CA MET A 141 -8.020 67.849 23.573 1.00 0.00 ATOM 1103 CB MET A 141 -8.632 68.529 24.813 1.00 0.00 ATOM 1104 CG MET A 141 -10.140 68.187 25.030 1.00 0.00 ATOM 1105 SD MET A 141 -10.966 68.852 26.740 1.00 0.00 ATOM 1106 CE MET A 141 -12.091 67.339 27.195 1.00 0.00 ATOM 1107 O MET A 141 -5.800 67.884 24.424 1.00 0.00 ATOM 1108 C MET A 141 -6.533 68.133 23.476 1.00 0.00 ATOM 1109 N LEU A 142 -6.067 68.528 22.304 1.00 0.00 ATOM 1110 CA LEU A 142 -4.650 68.799 22.101 1.00 0.00 ATOM 1111 CB LEU A 142 -4.080 68.033 20.882 1.00 0.00 ATOM 1112 CG LEU A 142 -4.178 66.518 20.931 1.00 0.00 ATOM 1113 CD1 LEU A 142 -3.826 65.891 19.547 1.00 0.00 ATOM 1114 CD2 LEU A 142 -3.304 65.953 22.056 1.00 0.00 ATOM 1115 O LEU A 142 -5.252 70.917 21.198 1.00 0.00 ATOM 1116 C LEU A 142 -4.482 70.292 21.930 1.00 0.00 ATOM 1117 N GLY A 143 -3.489 70.865 22.613 1.00 0.00 ATOM 1118 CA GLY A 143 -3.139 72.270 22.473 1.00 0.00 ATOM 1119 O GLY A 143 -1.015 71.433 21.723 1.00 0.00 ATOM 1120 C GLY A 143 -1.704 72.425 22.038 1.00 0.00 ATOM 1121 N GLY A 144 -1.237 73.669 22.061 1.00 0.00 ATOM 1122 CA GLY A 144 0.004 74.054 21.472 1.00 0.00 ATOM 1123 O GLY A 144 2.317 73.586 21.516 1.00 0.00 ATOM 1124 C GLY A 144 1.250 73.488 22.104 1.00 0.00 ATOM 1125 N GLN A 145 1.136 72.971 23.321 1.00 0.00 ATOM 1126 CA GLN A 145 2.263 72.333 24.006 1.00 0.00 ATOM 1127 CB GLN A 145 2.432 72.938 25.403 1.00 0.00 ATOM 1128 CG GLN A 145 2.906 74.395 25.400 1.00 0.00 ATOM 1129 CD GLN A 145 1.852 75.370 24.894 1.00 0.00 ATOM 1130 OE1 GLN A 145 0.701 75.347 25.357 1.00 0.00 ATOM 1131 NE2 GLN A 145 2.230 76.208 23.914 1.00 0.00 ATOM 1132 O GLN A 145 2.898 70.163 24.763 1.00 0.00 ATOM 1133 C GLN A 145 2.098 70.823 24.117 1.00 0.00 ATOM 1134 N SER A 146 1.068 70.265 23.504 1.00 0.00 ATOM 1135 CA SER A 146 0.699 68.875 23.766 1.00 0.00 ATOM 1136 CB SER A 146 -0.750 68.658 23.366 1.00 0.00 ATOM 1137 OG SER A 146 -1.615 69.377 24.239 1.00 0.00 ATOM 1138 O SER A 146 1.878 66.808 23.490 1.00 0.00 ATOM 1139 C SER A 146 1.626 67.888 23.021 1.00 0.00 ATOM 1140 N LEU A 147 2.134 68.299 21.877 1.00 0.00 ATOM 1141 CA LEU A 147 3.018 67.514 21.030 1.00 0.00 ATOM 1142 CB LEU A 147 2.192 66.984 19.843 1.00 0.00 ATOM 1143 CG LEU A 147 1.002 66.077 20.195 1.00 0.00 ATOM 1144 CD1 LEU A 147 0.195 65.837 18.918 1.00 0.00 ATOM 1145 CD2 LEU A 147 1.450 64.756 20.829 1.00 0.00 ATOM 1146 O LEU A 147 3.929 69.630 20.489 1.00 0.00 ATOM 1147 C LEU A 147 4.132 68.429 20.522 1.00 0.00 ATOM 1148 N PRO A 148 5.283 67.864 20.060 1.00 0.00 ATOM 1149 CA PRO A 148 6.450 68.608 19.532 1.00 0.00 ATOM 1150 CB PRO A 148 7.478 67.511 19.233 1.00 0.00 ATOM 1151 CG PRO A 148 6.993 66.307 19.822 1.00 0.00 ATOM 1152 CD PRO A 148 5.528 66.419 20.038 1.00 0.00 ATOM 1153 O PRO A 148 6.811 70.430 18.039 1.00 0.00 ATOM 1154 C PRO A 148 6.203 69.387 18.244 1.00 0.00 ATOM 1155 N GLU A 149 5.332 68.897 17.373 1.00 0.00 ATOM 1156 CA GLU A 149 4.964 69.632 16.157 1.00 0.00 ATOM 1157 CB GLU A 149 5.364 68.876 14.881 1.00 0.00 ATOM 1158 CG GLU A 149 6.841 68.745 14.670 1.00 0.00 ATOM 1159 CD GLU A 149 7.541 70.011 14.157 1.00 0.00 ATOM 1160 OE1 GLU A 149 6.885 70.996 13.751 1.00 0.00 ATOM 1161 OE2 GLU A 149 8.788 69.987 14.173 1.00 0.00 ATOM 1162 O GLU A 149 2.729 68.922 16.464 1.00 0.00 ATOM 1163 C GLU A 149 3.481 69.851 16.151 1.00 0.00 ATOM 1164 N ILE A 150 3.081 71.068 15.754 1.00 0.00 ATOM 1165 CA ILE A 150 1.680 71.509 15.729 1.00 0.00 ATOM 1166 CB ILE A 150 1.479 72.664 16.780 1.00 0.00 ATOM 1167 CG1 ILE A 150 2.317 73.894 16.435 1.00 0.00 ATOM 1168 CG2 ILE A 150 1.825 72.156 18.201 1.00 0.00 ATOM 1169 CD1 ILE A 150 2.072 75.078 17.484 1.00 0.00 ATOM 1170 O ILE A 150 2.110 72.092 13.424 1.00 0.00 ATOM 1171 C ILE A 150 1.263 71.943 14.316 1.00 0.00 ATOM 1172 N LYS A 151 -0.049 72.174 14.105 1.00 0.00 ATOM 1173 CA LYS A 151 -0.572 72.594 12.812 1.00 0.00 ATOM 1174 CB LYS A 151 -2.049 72.922 12.894 1.00 0.00 ATOM 1175 CG LYS A 151 -2.953 71.761 13.204 1.00 0.00 ATOM 1176 CD LYS A 151 -4.452 72.228 13.456 1.00 0.00 ATOM 1177 CE LYS A 151 -4.598 73.328 14.493 1.00 0.00 ATOM 1178 NZ LYS A 151 -6.060 73.661 14.704 1.00 0.00 ATOM 1179 O LYS A 151 0.512 74.686 13.173 1.00 0.00 ATOM 1180 C LYS A 151 0.234 73.805 12.356 1.00 0.00 ATOM 1181 N PRO A 152 0.563 73.902 11.053 1.00 0.00 ATOM 1182 CA PRO A 152 0.122 73.095 9.922 1.00 0.00 ATOM 1183 CB PRO A 152 0.342 74.021 8.719 1.00 0.00 ATOM 1184 CG PRO A 152 1.472 74.902 9.137 1.00 0.00 ATOM 1185 CD PRO A 152 1.450 75.005 10.634 1.00 0.00 ATOM 1186 O PRO A 152 0.530 71.060 8.740 1.00 0.00 ATOM 1187 C PRO A 152 0.847 71.761 9.705 1.00 0.00 ATOM 1188 N HIS A 153 1.792 71.402 10.565 1.00 0.00 ATOM 1189 CA HIS A 153 2.366 70.038 10.515 1.00 0.00 ATOM 1190 CB HIS A 153 3.524 69.885 11.499 1.00 0.00 ATOM 1191 CG HIS A 153 4.411 68.701 11.239 1.00 0.00 ATOM 1192 CD2 HIS A 153 5.684 68.613 10.809 1.00 0.00 ATOM 1193 ND1 HIS A 153 3.993 67.401 11.462 1.00 0.00 ATOM 1194 CE1 HIS A 153 4.973 66.572 11.166 1.00 0.00 ATOM 1195 NE2 HIS A 153 6.018 67.277 10.783 1.00 0.00 ATOM 1196 O HIS A 153 0.362 69.239 11.633 1.00 0.00 ATOM 1197 C HIS A 153 1.234 69.013 10.785 1.00 0.00 ATOM 1198 N PRO A 154 1.212 67.897 10.010 1.00 0.00 ATOM 1199 CA PRO A 154 0.140 66.921 10.195 1.00 0.00 ATOM 1200 CB PRO A 154 0.227 66.080 8.909 1.00 0.00 ATOM 1201 CG PRO A 154 1.657 66.088 8.594 1.00 0.00 ATOM 1202 CD PRO A 154 2.065 67.534 8.870 1.00 0.00 ATOM 1203 O PRO A 154 -0.645 65.218 11.675 1.00 0.00 ATOM 1204 C PRO A 154 0.266 66.031 11.420 1.00 0.00 ATOM 1205 N ALA A 155 1.364 66.143 12.159 1.00 0.00 ATOM 1206 CA ALA A 155 1.640 65.256 13.330 1.00 0.00 ATOM 1207 CB ALA A 155 2.902 65.707 14.076 1.00 0.00 ATOM 1208 O ALA A 155 0.134 63.977 14.701 1.00 0.00 ATOM 1209 C ALA A 155 0.443 65.086 14.300 1.00 0.00 ATOM 1210 N PRO A 156 -0.226 66.176 14.698 1.00 0.00 ATOM 1211 CA PRO A 156 -1.383 66.026 15.591 1.00 0.00 ATOM 1212 CB PRO A 156 -1.931 67.467 15.680 1.00 0.00 ATOM 1213 CG PRO A 156 -0.753 68.328 15.385 1.00 0.00 ATOM 1214 CD PRO A 156 0.064 67.594 14.417 1.00 0.00 ATOM 1215 O PRO A 156 -3.095 64.372 15.802 1.00 0.00 ATOM 1216 C PRO A 156 -2.439 65.083 15.039 1.00 0.00 ATOM 1217 N PHE A 157 -2.652 65.121 13.722 1.00 0.00 ATOM 1218 CA PHE A 157 -3.598 64.177 13.065 1.00 0.00 ATOM 1219 CB PHE A 157 -3.951 64.674 11.650 1.00 0.00 ATOM 1220 CG PHE A 157 -4.621 66.071 11.669 1.00 0.00 ATOM 1221 CD1 PHE A 157 -5.085 66.614 12.882 1.00 0.00 ATOM 1222 CD2 PHE A 157 -4.812 66.821 10.533 1.00 0.00 ATOM 1223 CE1 PHE A 157 -5.703 67.866 12.926 1.00 0.00 ATOM 1224 CE2 PHE A 157 -5.474 68.076 10.580 1.00 0.00 ATOM 1225 CZ PHE A 157 -5.889 68.588 11.747 1.00 0.00 ATOM 1226 O PHE A 157 -3.836 61.837 13.360 1.00 0.00 ATOM 1227 C PHE A 157 -3.077 62.748 13.124 1.00 0.00 ATOM 1228 N TYR A 158 -1.761 62.547 12.989 1.00 0.00 ATOM 1229 CA TYR A 158 -1.218 61.222 13.076 1.00 0.00 ATOM 1230 CB TYR A 158 0.234 61.214 12.586 1.00 0.00 ATOM 1231 CG TYR A 158 0.421 61.498 11.097 1.00 0.00 ATOM 1232 CD1 TYR A 158 -0.348 60.855 10.164 1.00 0.00 ATOM 1233 CD2 TYR A 158 1.436 62.331 10.635 1.00 0.00 ATOM 1234 CE1 TYR A 158 -0.165 61.051 8.814 1.00 0.00 ATOM 1235 CE2 TYR A 158 1.647 62.515 9.242 1.00 0.00 ATOM 1236 CZ TYR A 158 0.839 61.868 8.346 1.00 0.00 ATOM 1237 OH TYR A 158 0.962 61.995 6.961 1.00 0.00 ATOM 1238 O TYR A 158 -1.519 59.472 14.722 1.00 0.00 ATOM 1239 C TYR A 158 -1.332 60.688 14.491 1.00 0.00 ATOM 1240 N TYR A 159 -1.244 61.588 15.460 1.00 0.00 ATOM 1241 CA TYR A 159 -1.322 61.201 16.865 1.00 0.00 ATOM 1242 CB TYR A 159 -1.063 62.406 17.759 1.00 0.00 ATOM 1243 CG TYR A 159 -1.158 62.058 19.217 1.00 0.00 ATOM 1244 CD1 TYR A 159 -0.139 61.336 19.841 1.00 0.00 ATOM 1245 CD2 TYR A 159 -2.284 62.405 19.973 1.00 0.00 ATOM 1246 CE1 TYR A 159 -0.212 60.983 21.146 1.00 0.00 ATOM 1247 CE2 TYR A 159 -2.363 62.031 21.326 1.00 0.00 ATOM 1248 CZ TYR A 159 -1.329 61.336 21.890 1.00 0.00 ATOM 1249 OH TYR A 159 -1.402 60.975 23.220 1.00 0.00 ATOM 1250 O TYR A 159 -2.841 59.575 17.739 1.00 0.00 ATOM 1251 C TYR A 159 -2.716 60.628 17.110 1.00 0.00 ATOM 1252 N LEU A 160 -3.757 61.306 16.594 1.00 0.00 ATOM 1253 CA LEU A 160 -5.144 60.809 16.699 1.00 0.00 ATOM 1254 CB LEU A 160 -6.146 61.798 16.114 1.00 0.00 ATOM 1255 CG LEU A 160 -6.235 63.149 16.815 1.00 0.00 ATOM 1256 CD1 LEU A 160 -7.191 64.065 16.043 1.00 0.00 ATOM 1257 CD2 LEU A 160 -6.650 63.016 18.300 1.00 0.00 ATOM 1258 O LEU A 160 -6.044 58.611 16.583 1.00 0.00 ATOM 1259 C LEU A 160 -5.357 59.469 16.044 1.00 0.00 ATOM 1260 N CYS A 161 -4.750 59.274 14.867 1.00 0.00 ATOM 1261 CA CYS A 161 -4.811 58.009 14.170 1.00 0.00 ATOM 1262 CB CYS A 161 -4.103 58.062 12.807 1.00 0.00 ATOM 1263 SG CYS A 161 -4.877 59.089 11.583 1.00 0.00 ATOM 1264 O CYS A 161 -4.803 55.809 15.078 1.00 0.00 ATOM 1265 C CYS A 161 -4.233 56.896 15.005 1.00 0.00 ATOM 1266 N GLY A 162 -3.091 57.147 15.631 1.00 0.00 ATOM 1267 CA GLY A 162 -2.459 56.178 16.462 1.00 0.00 ATOM 1268 O GLY A 162 -3.442 54.703 18.029 1.00 0.00 ATOM 1269 C GLY A 162 -3.238 55.847 17.716 1.00 0.00 ATOM 1270 N LYS A 163 -3.655 56.891 18.413 1.00 0.00 ATOM 1271 CA LYS A 163 -4.382 56.761 19.663 1.00 0.00 ATOM 1272 CB LYS A 163 -4.548 58.134 20.321 1.00 0.00 ATOM 1273 CG LYS A 163 -5.264 58.053 21.667 1.00 0.00 ATOM 1274 CD LYS A 163 -4.826 59.128 22.652 1.00 0.00 ATOM 1275 CE LYS A 163 -5.294 58.754 24.061 1.00 0.00 ATOM 1276 NZ LYS A 163 -6.093 59.833 24.668 1.00 0.00 ATOM 1277 O LYS A 163 -6.077 55.220 20.297 1.00 0.00 ATOM 1278 C LYS A 163 -5.718 56.065 19.478 1.00 0.00 ATOM 1279 N PHE A 164 -6.463 56.404 18.416 1.00 0.00 ATOM 1280 CA PHE A 164 -7.780 55.816 18.184 1.00 0.00 ATOM 1281 CB PHE A 164 -8.782 56.940 17.839 1.00 0.00 ATOM 1282 CG PHE A 164 -8.993 57.879 18.976 1.00 0.00 ATOM 1283 CD1 PHE A 164 -9.826 57.536 20.040 1.00 0.00 ATOM 1284 CD2 PHE A 164 -8.288 59.075 19.040 1.00 0.00 ATOM 1285 CE1 PHE A 164 -9.986 58.435 21.130 1.00 0.00 ATOM 1286 CE2 PHE A 164 -8.432 59.952 20.124 1.00 0.00 ATOM 1287 CZ PHE A 164 -9.296 59.621 21.164 1.00 0.00 ATOM 1288 O PHE A 164 -8.925 54.119 16.932 1.00 0.00 ATOM 1289 C PHE A 164 -7.846 54.679 17.169 1.00 0.00 ATOM 1290 N GLY A 165 -6.699 54.311 16.596 1.00 0.00 ATOM 1291 CA GLY A 165 -6.607 53.148 15.720 1.00 0.00 ATOM 1292 O GLY A 165 -8.060 52.638 13.884 1.00 0.00 ATOM 1293 C GLY A 165 -7.256 53.421 14.370 1.00 0.00 ATOM 1294 N LEU A 166 -6.886 54.534 13.747 1.00 0.00 ATOM 1295 CA LEU A 166 -7.581 54.986 12.519 1.00 0.00 ATOM 1296 CB LEU A 166 -8.371 56.271 12.782 1.00 0.00 ATOM 1297 CG LEU A 166 -9.418 56.309 13.905 1.00 0.00 ATOM 1298 CD1 LEU A 166 -10.003 57.730 14.037 1.00 0.00 ATOM 1299 CD2 LEU A 166 -10.500 55.294 13.608 1.00 0.00 ATOM 1300 O LEU A 166 -5.414 55.441 11.627 1.00 0.00 ATOM 1301 C LEU A 166 -6.609 55.241 11.394 1.00 0.00 ATOM 1302 N TYR A 167 -7.107 55.152 10.163 1.00 0.00 ATOM 1303 CA TYR A 167 -6.434 55.768 9.011 1.00 0.00 ATOM 1304 CB TYR A 167 -6.832 55.087 7.684 1.00 0.00 ATOM 1305 CG TYR A 167 -6.481 53.661 7.492 1.00 0.00 ATOM 1306 CD1 TYR A 167 -5.187 53.290 7.152 1.00 0.00 ATOM 1307 CD2 TYR A 167 -7.459 52.652 7.589 1.00 0.00 ATOM 1308 CE1 TYR A 167 -4.882 52.008 6.910 1.00 0.00 ATOM 1309 CE2 TYR A 167 -7.155 51.390 7.379 1.00 0.00 ATOM 1310 CZ TYR A 167 -5.831 51.063 7.057 1.00 0.00 ATOM 1311 OH TYR A 167 -5.470 49.813 6.844 1.00 0.00 ATOM 1312 O TYR A 167 -7.950 57.603 9.417 1.00 0.00 ATOM 1313 C TYR A 167 -6.836 57.244 8.958 1.00 0.00 ATOM 1314 N PRO A 168 -5.911 58.123 8.485 1.00 0.00 ATOM 1315 CA PRO A 168 -6.209 59.525 8.288 1.00 0.00 ATOM 1316 CB PRO A 168 -5.057 59.991 7.408 1.00 0.00 ATOM 1317 CG PRO A 168 -3.909 59.180 7.896 1.00 0.00 ATOM 1318 CD PRO A 168 -4.502 57.822 8.144 1.00 0.00 ATOM 1319 O PRO A 168 -8.282 60.656 7.948 1.00 0.00 ATOM 1320 C PRO A 168 -7.561 59.739 7.586 1.00 0.00 ATOM 1321 N LYS A 169 -7.899 58.892 6.612 1.00 0.00 ATOM 1322 CA LYS A 169 -9.155 59.072 5.861 1.00 0.00 ATOM 1323 CB LYS A 169 -9.234 58.102 4.670 1.00 0.00 ATOM 1324 CG LYS A 169 -9.192 56.614 5.043 1.00 0.00 ATOM 1325 CD LYS A 169 -9.531 55.742 3.886 1.00 0.00 ATOM 1326 CE LYS A 169 -9.328 54.304 4.174 1.00 0.00 ATOM 1327 NZ LYS A 169 -9.909 53.332 3.166 1.00 0.00 ATOM 1328 O LYS A 169 -11.549 59.249 6.278 1.00 0.00 ATOM 1329 C LYS A 169 -10.429 58.912 6.720 1.00 0.00 ATOM 1330 N GLN A 170 -10.280 58.319 7.906 1.00 0.00 ATOM 1331 CA GLN A 170 -11.391 58.150 8.832 1.00 0.00 ATOM 1332 CB GLN A 170 -11.216 56.873 9.645 1.00 0.00 ATOM 1333 CG GLN A 170 -11.241 55.623 8.781 1.00 0.00 ATOM 1334 CD GLN A 170 -10.998 54.374 9.615 1.00 0.00 ATOM 1335 OE1 GLN A 170 -9.888 54.165 10.124 1.00 0.00 ATOM 1336 NE2 GLN A 170 -12.014 53.513 9.723 1.00 0.00 ATOM 1337 O GLN A 170 -12.434 59.289 10.638 1.00 0.00 ATOM 1338 C GLN A 170 -11.571 59.325 9.769 1.00 0.00 ATOM 1339 N ILE A 171 -10.786 60.395 9.584 1.00 0.00 ATOM 1340 CA ILE A 171 -10.915 61.611 10.396 1.00 0.00 ATOM 1341 CB ILE A 171 -9.565 62.092 11.057 1.00 0.00 ATOM 1342 CG1 ILE A 171 -9.013 61.021 11.982 1.00 0.00 ATOM 1343 CG2 ILE A 171 -9.736 63.496 11.797 1.00 0.00 ATOM 1344 CD1 ILE A 171 -7.602 61.384 12.535 1.00 0.00 ATOM 1345 O ILE A 171 -10.937 62.955 8.403 1.00 0.00 ATOM 1346 C ILE A 171 -11.460 62.720 9.506 1.00 0.00 ATOM 1347 N LEU A 172 -12.540 63.350 9.961 1.00 0.00 ATOM 1348 CA LEU A 172 -13.006 64.623 9.397 1.00 0.00 ATOM 1349 CB LEU A 172 -14.524 64.680 9.375 1.00 0.00 ATOM 1350 CG LEU A 172 -15.254 65.950 8.924 1.00 0.00 ATOM 1351 CD1 LEU A 172 -14.900 66.294 7.482 1.00 0.00 ATOM 1352 CD2 LEU A 172 -16.767 65.851 9.137 1.00 0.00 ATOM 1353 O LEU A 172 -12.727 65.705 11.492 1.00 0.00 ATOM 1354 C LEU A 172 -12.531 65.742 10.276 1.00 0.00 ATOM 1355 N PHE A 173 -11.926 66.760 9.666 1.00 0.00 ATOM 1356 CA PHE A 173 -11.463 67.901 10.423 1.00 0.00 ATOM 1357 CB PHE A 173 -9.959 68.191 10.236 1.00 0.00 ATOM 1358 CG PHE A 173 -9.414 69.029 11.366 1.00 0.00 ATOM 1359 CD1 PHE A 173 -9.187 68.456 12.618 1.00 0.00 ATOM 1360 CD2 PHE A 173 -9.241 70.373 11.244 1.00 0.00 ATOM 1361 CE1 PHE A 173 -8.765 69.230 13.693 1.00 0.00 ATOM 1362 CE2 PHE A 173 -8.826 71.135 12.314 1.00 0.00 ATOM 1363 CZ PHE A 173 -8.600 70.570 13.535 1.00 0.00 ATOM 1364 O PHE A 173 -12.669 69.315 8.915 1.00 0.00 ATOM 1365 C PHE A 173 -12.275 69.143 10.073 1.00 0.00 ATOM 1366 N VAL A 174 -12.484 69.986 11.090 1.00 0.00 ATOM 1367 CA VAL A 174 -13.250 71.242 10.977 1.00 0.00 ATOM 1368 CB VAL A 174 -14.606 71.150 11.742 1.00 0.00 ATOM 1369 CG1 VAL A 174 -15.407 72.434 11.608 1.00 0.00 ATOM 1370 CG2 VAL A 174 -15.444 69.967 11.221 1.00 0.00 ATOM 1371 O VAL A 174 -12.036 72.468 12.660 1.00 0.00 ATOM 1372 C VAL A 174 -12.415 72.411 11.494 1.00 0.00 ATOM 1373 N GLY A 175 -12.094 73.337 10.611 1.00 0.00 ATOM 1374 CA GLY A 175 -11.299 74.490 10.974 1.00 0.00 ATOM 1375 O GLY A 175 -12.615 75.760 9.448 1.00 0.00 ATOM 1376 C GLY A 175 -11.716 75.756 10.272 1.00 0.00 ATOM 1377 N ASP A 176 -11.007 76.820 10.599 1.00 0.00 ATOM 1378 CA ASP A 176 -11.315 78.157 10.132 1.00 0.00 ATOM 1379 CB ASP A 176 -11.873 78.957 11.305 1.00 0.00 ATOM 1380 CG ASP A 176 -10.831 79.122 12.446 1.00 0.00 ATOM 1381 OD1 ASP A 176 -10.516 78.094 13.115 1.00 0.00 ATOM 1382 OD2 ASP A 176 -10.342 80.266 12.679 1.00 0.00 ATOM 1383 O ASP A 176 -10.196 80.010 9.149 1.00 0.00 ATOM 1384 C ASP A 176 -10.085 78.876 9.560 1.00 0.00 ATOM 1385 N SER A 177 -8.923 78.213 9.525 1.00 0.00 ATOM 1386 CA SER A 177 -7.731 78.846 8.969 1.00 0.00 ATOM 1387 CB SER A 177 -6.844 79.374 10.080 1.00 0.00 ATOM 1388 OG SER A 177 -5.871 78.412 10.440 1.00 0.00 ATOM 1389 O SER A 177 -7.056 76.652 8.170 1.00 0.00 ATOM 1390 C SER A 177 -6.924 77.882 8.095 1.00 0.00 ATOM 1391 N GLN A 178 -6.062 78.445 7.272 1.00 0.00 ATOM 1392 CA GLN A 178 -5.210 77.630 6.426 1.00 0.00 ATOM 1393 CB GLN A 178 -4.353 78.499 5.501 1.00 0.00 ATOM 1394 CG GLN A 178 -3.365 79.355 6.251 1.00 0.00 ATOM 1395 CD GLN A 178 -2.453 80.139 5.333 1.00 0.00 ATOM 1396 OE1 GLN A 178 -2.858 80.570 4.273 1.00 0.00 ATOM 1397 NE2 GLN A 178 -1.217 80.337 5.757 1.00 0.00 ATOM 1398 O GLN A 178 -3.851 75.677 6.659 1.00 0.00 ATOM 1399 C GLN A 178 -4.314 76.683 7.208 1.00 0.00 ATOM 1400 N ASN A 179 -4.023 76.991 8.473 1.00 0.00 ATOM 1401 CA ASN A 179 -3.245 76.067 9.305 1.00 0.00 ATOM 1402 CB ASN A 179 -3.090 76.639 10.712 1.00 0.00 ATOM 1403 CG ASN A 179 -2.337 77.950 10.701 1.00 0.00 ATOM 1404 ND2 ASN A 179 -3.046 79.063 10.951 1.00 0.00 ATOM 1405 OD1 ASN A 179 -1.173 77.970 10.365 1.00 0.00 ATOM 1406 O ASN A 179 -3.360 73.679 9.331 1.00 0.00 ATOM 1407 C ASN A 179 -3.970 74.730 9.389 1.00 0.00 ATOM 1408 N ASP A 180 -5.287 74.808 9.576 1.00 0.00 ATOM 1409 CA ASP A 180 -6.148 73.623 9.712 1.00 0.00 ATOM 1410 CB ASP A 180 -7.566 74.052 10.102 1.00 0.00 ATOM 1411 CG ASP A 180 -7.607 74.814 11.442 1.00 0.00 ATOM 1412 OD1 ASP A 180 -7.047 74.264 12.404 1.00 0.00 ATOM 1413 OD2 ASP A 180 -8.208 75.922 11.523 1.00 0.00 ATOM 1414 O ASP A 180 -6.035 71.648 8.344 1.00 0.00 ATOM 1415 C ASP A 180 -6.195 72.870 8.384 1.00 0.00 ATOM 1416 N ILE A 181 -6.415 73.620 7.313 1.00 0.00 ATOM 1417 CA ILE A 181 -6.676 73.044 5.986 1.00 0.00 ATOM 1418 CB ILE A 181 -7.179 74.099 4.990 1.00 0.00 ATOM 1419 CG1 ILE A 181 -8.457 74.871 5.466 1.00 0.00 ATOM 1420 CG2 ILE A 181 -7.433 73.495 3.571 1.00 0.00 ATOM 1421 CD1 ILE A 181 -9.410 74.130 6.245 1.00 0.00 ATOM 1422 O ILE A 181 -5.420 71.252 4.950 1.00 0.00 ATOM 1423 C ILE A 181 -5.384 72.387 5.454 1.00 0.00 ATOM 1424 N PHE A 182 -4.246 73.070 5.571 1.00 0.00 ATOM 1425 CA PHE A 182 -2.989 72.502 5.112 1.00 0.00 ATOM 1426 CB PHE A 182 -1.819 73.499 5.225 1.00 0.00 ATOM 1427 CG PHE A 182 -1.936 74.713 4.337 1.00 0.00 ATOM 1428 CD1 PHE A 182 -2.732 74.721 3.211 1.00 0.00 ATOM 1429 CD2 PHE A 182 -1.231 75.863 4.656 1.00 0.00 ATOM 1430 CE1 PHE A 182 -2.850 75.854 2.424 1.00 0.00 ATOM 1431 CE2 PHE A 182 -1.332 76.984 3.849 1.00 0.00 ATOM 1432 CZ PHE A 182 -2.149 76.960 2.733 1.00 0.00 ATOM 1433 O PHE A 182 -2.086 70.298 5.301 1.00 0.00 ATOM 1434 C PHE A 182 -2.607 71.253 5.891 1.00 0.00 ATOM 1435 N ALA A 183 -2.789 71.268 7.208 1.00 0.00 ATOM 1436 CA ALA A 183 -2.500 70.070 8.033 1.00 0.00 ATOM 1437 CB ALA A 183 -2.743 70.348 9.548 1.00 0.00 ATOM 1438 O ALA A 183 -2.812 67.767 7.422 1.00 0.00 ATOM 1439 C ALA A 183 -3.343 68.876 7.562 1.00 0.00 ATOM 1440 N ALA A 184 -4.639 69.114 7.333 1.00 0.00 ATOM 1441 CA ALA A 184 -5.563 68.069 6.892 1.00 0.00 ATOM 1442 CB ALA A 184 -7.041 68.621 6.872 1.00 0.00 ATOM 1443 O ALA A 184 -5.182 66.295 5.307 1.00 0.00 ATOM 1444 C ALA A 184 -5.188 67.510 5.535 1.00 0.00 ATOM 1445 N HIS A 185 -4.887 68.390 4.590 1.00 0.00 ATOM 1446 CA HIS A 185 -4.473 67.964 3.255 1.00 0.00 ATOM 1447 CB HIS A 185 -4.196 69.145 2.348 1.00 0.00 ATOM 1448 CG HIS A 185 -5.402 69.883 1.879 1.00 0.00 ATOM 1449 CD2 HIS A 185 -5.522 71.150 1.411 1.00 0.00 ATOM 1450 ND1 HIS A 185 -6.659 69.315 1.795 1.00 0.00 ATOM 1451 CE1 HIS A 185 -7.505 70.215 1.345 1.00 0.00 ATOM 1452 NE2 HIS A 185 -6.835 71.324 1.063 1.00 0.00 ATOM 1453 O HIS A 185 -3.102 66.097 2.703 1.00 0.00 ATOM 1454 C HIS A 185 -3.218 67.137 3.328 1.00 0.00 ATOM 1455 N SER A 186 -2.262 67.576 4.122 1.00 0.00 ATOM 1456 CA SER A 186 -1.013 66.837 4.253 1.00 0.00 ATOM 1457 CB SER A 186 0.044 67.660 5.031 1.00 0.00 ATOM 1458 OG SER A 186 1.327 66.985 4.944 1.00 0.00 ATOM 1459 O SER A 186 -0.624 64.460 4.476 1.00 0.00 ATOM 1460 C SER A 186 -1.194 65.448 4.920 1.00 0.00 ATOM 1461 N ALA A 187 -2.036 65.337 5.920 1.00 0.00 ATOM 1462 CA ALA A 187 -2.272 64.040 6.602 1.00 0.00 ATOM 1463 CB ALA A 187 -2.919 64.313 7.962 1.00 0.00 ATOM 1464 O ALA A 187 -3.101 61.889 5.989 1.00 0.00 ATOM 1465 C ALA A 187 -3.178 63.097 5.806 1.00 0.00 ATOM 1466 N GLY A 188 -4.058 63.669 4.980 1.00 0.00 ATOM 1467 CA GLY A 188 -5.017 62.906 4.174 1.00 0.00 ATOM 1468 O GLY A 188 -7.167 61.867 4.497 1.00 0.00 ATOM 1469 C GLY A 188 -6.433 62.827 4.751 1.00 0.00 ATOM 1470 N CYS A 189 -6.808 63.844 5.532 1.00 0.00 ATOM 1471 CA CYS A 189 -8.096 63.932 6.226 1.00 0.00 ATOM 1472 CB CYS A 189 -7.923 64.529 7.661 1.00 0.00 ATOM 1473 SG CYS A 189 -6.743 63.597 8.639 1.00 0.00 ATOM 1474 O CYS A 189 -8.477 65.854 4.957 1.00 0.00 ATOM 1475 C CYS A 189 -8.967 64.864 5.424 1.00 0.00 ATOM 1476 N ALA A 190 -10.255 64.543 5.265 1.00 0.00 ATOM 1477 CA ALA A 190 -11.216 65.500 4.671 1.00 0.00 ATOM 1478 CB ALA A 190 -12.573 64.838 4.428 1.00 0.00 ATOM 1479 O ALA A 190 -11.248 66.514 6.850 1.00 0.00 ATOM 1480 C ALA A 190 -11.364 66.672 5.623 1.00 0.00 ATOM 1481 N VAL A 191 -11.609 67.868 5.082 1.00 0.00 ATOM 1482 CA VAL A 191 -11.624 69.059 5.918 1.00 0.00 ATOM 1483 CB VAL A 191 -10.207 69.759 5.989 1.00 0.00 ATOM 1484 CG1 VAL A 191 -9.771 70.272 4.599 1.00 0.00 ATOM 1485 CG2 VAL A 191 -10.196 70.891 7.075 1.00 0.00 ATOM 1486 O VAL A 191 -12.853 70.401 4.341 1.00 0.00 ATOM 1487 C VAL A 191 -12.680 70.061 5.522 1.00 0.00 ATOM 1488 N VAL A 192 -13.415 70.507 6.530 1.00 0.00 ATOM 1489 CA VAL A 192 -14.353 71.615 6.413 1.00 0.00 ATOM 1490 CB VAL A 192 -15.529 71.473 7.400 1.00 0.00 ATOM 1491 CG1 VAL A 192 -16.417 72.741 7.383 1.00 0.00 ATOM 1492 CG2 VAL A 192 -16.364 70.212 7.093 1.00 0.00 ATOM 1493 O VAL A 192 -13.018 73.023 7.854 1.00 0.00 ATOM 1494 C VAL A 192 -13.635 72.927 6.786 1.00 0.00 ATOM 1495 N GLY A 193 -13.718 73.905 5.880 1.00 0.00 ATOM 1496 CA GLY A 193 -13.352 75.268 6.165 1.00 0.00 ATOM 1497 O GLY A 193 -15.453 76.325 5.628 1.00 0.00 ATOM 1498 C GLY A 193 -14.554 76.139 6.478 1.00 0.00 ATOM 1499 N LEU A 194 -14.539 76.721 7.667 1.00 0.00 ATOM 1500 CA LEU A 194 -15.540 77.706 8.099 1.00 0.00 ATOM 1501 CB LEU A 194 -15.770 77.614 9.621 1.00 0.00 ATOM 1502 CG LEU A 194 -16.242 76.225 10.094 1.00 0.00 ATOM 1503 CD1 LEU A 194 -15.918 76.061 11.579 1.00 0.00 ATOM 1504 CD2 LEU A 194 -17.713 76.034 9.805 1.00 0.00 ATOM 1505 O LEU A 194 -13.941 79.463 7.784 1.00 0.00 ATOM 1506 C LEU A 194 -15.118 79.115 7.712 1.00 0.00 ATOM 1507 N THR A 195 -16.079 79.919 7.296 1.00 0.00 ATOM 1508 CA THR A 195 -15.799 81.241 6.761 1.00 0.00 ATOM 1509 CB THR A 195 -16.744 81.605 5.663 1.00 0.00 ATOM 1510 CG2 THR A 195 -16.656 80.657 4.504 1.00 0.00 ATOM 1511 OG1 THR A 195 -18.085 81.649 6.177 1.00 0.00 ATOM 1512 O THR A 195 -15.661 83.491 7.563 1.00 0.00 ATOM 1513 C THR A 195 -15.869 82.342 7.853 1.00 0.00 ATOM 1514 N TYR A 196 -16.084 81.991 9.115 1.00 0.00 ATOM 1515 CA TYR A 196 -16.301 83.001 10.119 1.00 0.00 ATOM 1516 CB TYR A 196 -17.584 82.729 10.863 1.00 0.00 ATOM 1517 CG TYR A 196 -17.700 81.367 11.571 1.00 0.00 ATOM 1518 CD1 TYR A 196 -16.721 80.895 12.446 1.00 0.00 ATOM 1519 CD2 TYR A 196 -18.794 80.601 11.383 1.00 0.00 ATOM 1520 CE1 TYR A 196 -16.872 79.684 13.102 1.00 0.00 ATOM 1521 CE2 TYR A 196 -18.967 79.390 12.075 1.00 0.00 ATOM 1522 CZ TYR A 196 -18.033 78.962 12.927 1.00 0.00 ATOM 1523 OH TYR A 196 -18.229 77.782 13.605 1.00 0.00 ATOM 1524 O TYR A 196 -15.344 84.060 12.007 1.00 0.00 ATOM 1525 C TYR A 196 -15.186 83.242 11.094 1.00 0.00 ATOM 1526 N GLY A 197 -14.048 82.597 10.869 1.00 0.00 ATOM 1527 CA GLY A 197 -12.973 82.543 11.827 1.00 0.00 ATOM 1528 O GLY A 197 -11.932 84.474 10.927 1.00 0.00 ATOM 1529 C GLY A 197 -11.767 83.398 11.467 1.00 0.00 ATOM 1530 N TYR A 198 -10.561 82.931 11.784 1.00 0.00 ATOM 1531 CA TYR A 198 -9.402 83.807 11.767 1.00 0.00 ATOM 1532 CB TYR A 198 -8.780 83.996 13.191 1.00 0.00 ATOM 1533 CG TYR A 198 -9.769 84.127 14.354 1.00 0.00 ATOM 1534 CD1 TYR A 198 -10.923 84.901 14.246 1.00 0.00 ATOM 1535 CD2 TYR A 198 -9.530 83.499 15.560 1.00 0.00 ATOM 1536 CE1 TYR A 198 -11.868 84.974 15.302 1.00 0.00 ATOM 1537 CE2 TYR A 198 -10.454 83.606 16.638 1.00 0.00 ATOM 1538 CZ TYR A 198 -11.612 84.327 16.486 1.00 0.00 ATOM 1539 OH TYR A 198 -12.505 84.438 17.525 1.00 0.00 ATOM 1540 O TYR A 198 -7.767 82.221 11.085 1.00 0.00 ATOM 1541 C TYR A 198 -8.392 83.243 10.796 1.00 0.00 ATOM 1542 N ASN A 199 -8.236 83.901 9.649 1.00 0.00 ATOM 1543 CA ASN A 199 -7.359 83.393 8.589 1.00 0.00 ATOM 1544 CB ASN A 199 -8.201 82.608 7.558 1.00 0.00 ATOM 1545 CG ASN A 199 -7.345 81.785 6.615 1.00 0.00 ATOM 1546 ND2 ASN A 199 -7.739 81.719 5.346 1.00 0.00 ATOM 1547 OD1 ASN A 199 -6.325 81.217 7.041 1.00 0.00 ATOM 1548 O ASN A 199 -6.454 84.529 6.659 1.00 0.00 ATOM 1549 C ASN A 199 -6.562 84.489 7.902 1.00 0.00 ATOM 1550 N TYR A 200 -6.027 85.423 8.697 1.00 0.00 ATOM 1551 CA TYR A 200 -5.071 86.396 8.176 1.00 0.00 ATOM 1552 CB TYR A 200 -3.828 85.669 7.604 1.00 0.00 ATOM 1553 CG TYR A 200 -3.278 84.592 8.505 1.00 0.00 ATOM 1554 CD1 TYR A 200 -2.504 84.918 9.625 1.00 0.00 ATOM 1555 CD2 TYR A 200 -3.551 83.262 8.270 1.00 0.00 ATOM 1556 CE1 TYR A 200 -1.999 83.920 10.477 1.00 0.00 ATOM 1557 CE2 TYR A 200 -3.065 82.260 9.106 1.00 0.00 ATOM 1558 CZ TYR A 200 -2.280 82.597 10.204 1.00 0.00 ATOM 1559 OH TYR A 200 -1.807 81.602 11.024 1.00 0.00 ATOM 1560 O TYR A 200 -4.930 87.753 6.213 1.00 0.00 ATOM 1561 C TYR A 200 -5.659 87.299 7.096 1.00 0.00 ATOM 1562 N ASN A 201 -6.971 87.536 7.149 1.00 0.00 ATOM 1563 CA ASN A 201 -7.685 88.248 6.105 1.00 0.00 ATOM 1564 CB ASN A 201 -7.233 89.733 6.005 1.00 0.00 ATOM 1565 CG ASN A 201 -7.655 90.569 7.221 1.00 0.00 ATOM 1566 ND2 ASN A 201 -6.726 91.332 7.762 1.00 0.00 ATOM 1567 OD1 ASN A 201 -8.808 90.555 7.631 1.00 0.00 ATOM 1568 O ASN A 201 -7.936 88.198 3.718 1.00 0.00 ATOM 1569 C ASN A 201 -7.675 87.556 4.722 1.00 0.00 ATOM 1570 N ILE A 202 -7.364 86.260 4.674 1.00 0.00 ATOM 1571 CA ILE A 202 -7.378 85.480 3.434 1.00 0.00 ATOM 1572 CB ILE A 202 -6.190 84.486 3.397 1.00 0.00 ATOM 1573 CG1 ILE A 202 -4.854 85.198 3.564 1.00 0.00 ATOM 1574 CG2 ILE A 202 -6.212 83.627 2.130 1.00 0.00 ATOM 1575 CD1 ILE A 202 -3.726 84.222 3.827 1.00 0.00 ATOM 1576 O ILE A 202 -9.119 84.096 4.405 1.00 0.00 ATOM 1577 C ILE A 202 -8.703 84.670 3.389 1.00 0.00 ATOM 1578 N PRO A 203 -9.353 84.593 2.212 1.00 0.00 ATOM 1579 CA PRO A 203 -10.555 83.764 2.123 1.00 0.00 ATOM 1580 CB PRO A 203 -11.013 83.974 0.668 1.00 0.00 ATOM 1581 CG PRO A 203 -10.362 85.267 0.260 1.00 0.00 ATOM 1582 CD PRO A 203 -9.053 85.238 0.915 1.00 0.00 ATOM 1583 O PRO A 203 -9.136 81.842 1.929 1.00 0.00 ATOM 1584 C PRO A 203 -10.192 82.291 2.369 1.00 0.00 ATOM 1585 N ILE A 204 -11.029 81.580 3.111 1.00 0.00 ATOM 1586 CA ILE A 204 -10.755 80.176 3.425 1.00 0.00 ATOM 1587 CB ILE A 204 -11.713 79.642 4.537 1.00 0.00 ATOM 1588 CG1 ILE A 204 -11.091 78.451 5.287 1.00 0.00 ATOM 1589 CG2 ILE A 204 -13.061 79.279 3.997 1.00 0.00 ATOM 1590 CD1 ILE A 204 -9.650 78.642 5.749 1.00 0.00 ATOM 1591 O ILE A 204 -10.082 78.329 2.034 1.00 0.00 ATOM 1592 C ILE A 204 -10.769 79.344 2.124 1.00 0.00 ATOM 1593 N ALA A 205 -11.499 79.795 1.097 1.00 0.00 ATOM 1594 CA ALA A 205 -11.525 79.068 -0.173 1.00 0.00 ATOM 1595 CB ALA A 205 -12.527 79.655 -1.201 1.00 0.00 ATOM 1596 O ALA A 205 -9.835 78.123 -1.539 1.00 0.00 ATOM 1597 C ALA A 205 -10.123 79.017 -0.783 1.00 0.00 ATOM 1598 N GLN A 206 -9.249 79.955 -0.462 1.00 0.00 ATOM 1599 CA GLN A 206 -7.957 79.962 -1.122 1.00 0.00 ATOM 1600 CB GLN A 206 -7.189 81.217 -0.740 1.00 0.00 ATOM 1601 CG GLN A 206 -5.851 81.346 -1.393 1.00 0.00 ATOM 1602 CD GLN A 206 -5.199 82.649 -1.068 1.00 0.00 ATOM 1603 OE1 GLN A 206 -5.731 83.719 -1.368 1.00 0.00 ATOM 1604 NE2 GLN A 206 -4.044 82.576 -0.462 1.00 0.00 ATOM 1605 O GLN A 206 -6.317 78.272 -1.650 1.00 0.00 ATOM 1606 C GLN A 206 -7.120 78.700 -0.820 1.00 0.00 ATOM 1607 N SER A 207 -7.314 78.097 0.346 1.00 0.00 ATOM 1608 CA SER A 207 -6.580 76.872 0.701 1.00 0.00 ATOM 1609 CB SER A 207 -6.288 76.874 2.213 1.00 0.00 ATOM 1610 OG SER A 207 -7.497 76.953 2.921 1.00 0.00 ATOM 1611 O SER A 207 -6.841 74.482 0.501 1.00 0.00 ATOM 1612 C SER A 207 -7.316 75.570 0.257 1.00 0.00 ATOM 1613 N LYS A 208 -8.461 75.720 -0.398 1.00 0.00 ATOM 1614 CA LYS A 208 -9.178 74.627 -1.039 1.00 0.00 ATOM 1615 CB LYS A 208 -8.365 74.064 -2.232 1.00 0.00 ATOM 1616 CG LYS A 208 -7.970 75.138 -3.285 1.00 0.00 ATOM 1617 CD LYS A 208 -7.495 74.540 -4.614 1.00 0.00 ATOM 1618 O LYS A 208 -9.171 72.385 -0.202 1.00 0.00 ATOM 1619 C LYS A 208 -9.556 73.520 -0.031 1.00 0.00 ATOM 1620 N PRO A 209 -10.349 73.864 0.983 1.00 0.00 ATOM 1621 CA PRO A 209 -10.920 72.839 1.851 1.00 0.00 ATOM 1622 CB PRO A 209 -11.668 73.650 2.907 1.00 0.00 ATOM 1623 CG PRO A 209 -11.976 74.922 2.279 1.00 0.00 ATOM 1624 CD PRO A 209 -10.854 75.210 1.325 1.00 0.00 ATOM 1625 O PRO A 209 -12.363 72.391 -0.043 1.00 0.00 ATOM 1626 C PRO A 209 -11.903 71.988 1.041 1.00 0.00 ATOM 1627 N ASP A 210 -12.197 70.811 1.542 1.00 0.00 ATOM 1628 CA ASP A 210 -13.165 69.961 0.884 1.00 0.00 ATOM 1629 CB ASP A 210 -13.115 68.569 1.479 1.00 0.00 ATOM 1630 CG ASP A 210 -11.738 67.954 1.342 1.00 0.00 ATOM 1631 OD1 ASP A 210 -11.387 67.619 0.190 1.00 0.00 ATOM 1632 OD2 ASP A 210 -11.019 67.890 2.358 1.00 0.00 ATOM 1633 O ASP A 210 -15.350 70.292 -0.017 1.00 0.00 ATOM 1634 C ASP A 210 -14.573 70.525 0.920 1.00 0.00 ATOM 1635 N TRP A 211 -14.929 71.230 1.979 1.00 0.00 ATOM 1636 CA TRP A 211 -16.220 71.950 2.028 1.00 0.00 ATOM 1637 CB TRP A 211 -17.242 71.277 2.941 1.00 0.00 ATOM 1638 CG TRP A 211 -17.640 69.878 2.619 1.00 0.00 ATOM 1639 CD1 TRP A 211 -18.675 69.475 1.856 1.00 0.00 ATOM 1640 CD2 TRP A 211 -16.984 68.687 3.084 1.00 0.00 ATOM 1641 CE2 TRP A 211 -17.700 67.599 2.589 1.00 0.00 ATOM 1642 CE3 TRP A 211 -15.855 68.447 3.873 1.00 0.00 ATOM 1643 NE1 TRP A 211 -18.745 68.103 1.856 1.00 0.00 ATOM 1644 CZ2 TRP A 211 -17.334 66.278 2.864 1.00 0.00 ATOM 1645 CZ3 TRP A 211 -15.495 67.130 4.130 1.00 0.00 ATOM 1646 CH2 TRP A 211 -16.228 66.073 3.600 1.00 0.00 ATOM 1647 O TRP A 211 -15.067 73.488 3.373 1.00 0.00 ATOM 1648 C TRP A 211 -15.985 73.313 2.594 1.00 0.00 ATOM 1649 N ILE A 212 -16.810 74.288 2.195 1.00 0.00 ATOM 1650 CA ILE A 212 -16.739 75.636 2.752 1.00 0.00 ATOM 1651 CB ILE A 212 -16.336 76.694 1.707 1.00 0.00 ATOM 1652 CG1 ILE A 212 -14.914 76.425 1.182 1.00 0.00 ATOM 1653 CG2 ILE A 212 -16.374 78.128 2.328 1.00 0.00 ATOM 1654 CD1 ILE A 212 -14.630 76.992 -0.183 1.00 0.00 ATOM 1655 O ILE A 212 -19.135 75.888 2.570 1.00 0.00 ATOM 1656 C ILE A 212 -18.142 75.938 3.311 1.00 0.00 ATOM 1657 N PHE A 213 -18.208 76.210 4.605 1.00 0.00 ATOM 1658 CA PHE A 213 -19.471 76.445 5.298 1.00 0.00 ATOM 1659 CB PHE A 213 -19.792 75.319 6.280 1.00 0.00 ATOM 1660 CG PHE A 213 -20.100 73.966 5.652 1.00 0.00 ATOM 1661 CD1 PHE A 213 -20.714 73.820 4.425 1.00 0.00 ATOM 1662 CD2 PHE A 213 -19.813 72.818 6.394 1.00 0.00 ATOM 1663 CE1 PHE A 213 -20.980 72.571 3.907 1.00 0.00 ATOM 1664 CE2 PHE A 213 -20.076 71.580 5.901 1.00 0.00 ATOM 1665 CZ PHE A 213 -20.651 71.440 4.651 1.00 0.00 ATOM 1666 O PHE A 213 -18.493 78.161 6.702 1.00 0.00 ATOM 1667 C PHE A 213 -19.474 77.766 6.073 1.00 0.00 ATOM 1668 N ASP A 214 -20.604 78.446 5.995 1.00 0.00 ATOM 1669 CA ASP A 214 -20.883 79.639 6.801 1.00 0.00 ATOM 1670 CB ASP A 214 -21.889 80.547 6.075 1.00 0.00 ATOM 1671 CG ASP A 214 -21.362 81.103 4.758 1.00 0.00 ATOM 1672 OD1 ASP A 214 -20.142 81.264 4.604 1.00 0.00 ATOM 1673 OD2 ASP A 214 -22.186 81.421 3.878 1.00 0.00 ATOM 1674 O ASP A 214 -21.549 80.266 8.999 1.00 0.00 ATOM 1675 C ASP A 214 -21.497 79.350 8.178 1.00 0.00 ATOM 1676 N ASP A 215 -22.057 78.151 8.380 1.00 0.00 ATOM 1677 CA ASP A 215 -22.774 77.783 9.629 1.00 0.00 ATOM 1678 CB ASP A 215 -24.305 77.543 9.435 1.00 0.00 ATOM 1679 CG ASP A 215 -25.164 77.354 10.744 1.00 0.00 ATOM 1680 OD1 ASP A 215 -24.693 77.025 11.928 1.00 0.00 ATOM 1681 OD2 ASP A 215 -26.421 77.442 10.549 1.00 0.00 ATOM 1682 O ASP A 215 -22.220 75.461 9.346 1.00 0.00 ATOM 1683 C ASP A 215 -22.205 76.442 10.094 1.00 0.00 ATOM 1684 N PHE A 216 -21.765 76.402 11.331 1.00 0.00 ATOM 1685 CA PHE A 216 -21.263 75.180 11.947 1.00 0.00 ATOM 1686 CB PHE A 216 -20.958 75.514 13.401 1.00 0.00 ATOM 1687 CG PHE A 216 -20.183 74.469 14.135 1.00 0.00 ATOM 1688 CD1 PHE A 216 -18.780 74.494 14.146 1.00 0.00 ATOM 1689 CD2 PHE A 216 -20.847 73.512 14.902 1.00 0.00 ATOM 1690 CE1 PHE A 216 -18.059 73.554 14.884 1.00 0.00 ATOM 1691 CE2 PHE A 216 -20.135 72.580 15.604 1.00 0.00 ATOM 1692 CZ PHE A 216 -18.748 72.616 15.617 1.00 0.00 ATOM 1693 O PHE A 216 -21.859 72.851 11.690 1.00 0.00 ATOM 1694 C PHE A 216 -22.264 74.011 11.851 1.00 0.00 ATOM 1695 N ALA A 217 -23.551 74.310 11.934 1.00 0.00 ATOM 1696 CA ALA A 217 -24.589 73.273 11.801 1.00 0.00 ATOM 1697 CB ALA A 217 -26.013 73.868 12.112 1.00 0.00 ATOM 1698 O ALA A 217 -25.089 71.406 10.341 1.00 0.00 ATOM 1699 C ALA A 217 -24.590 72.532 10.444 1.00 0.00 ATOM 1700 N ASP A 218 -24.060 73.160 9.397 1.00 0.00 ATOM 1701 CA ASP A 218 -23.928 72.500 8.084 1.00 0.00 ATOM 1702 CB ASP A 218 -23.321 73.461 7.071 1.00 0.00 ATOM 1703 CG ASP A 218 -24.317 74.541 6.649 1.00 0.00 ATOM 1704 OD1 ASP A 218 -25.515 74.224 6.671 1.00 0.00 ATOM 1705 OD2 ASP A 218 -23.899 75.684 6.334 1.00 0.00 ATOM 1706 O ASP A 218 -23.220 70.368 7.219 1.00 0.00 ATOM 1707 C ASP A 218 -23.091 71.217 8.123 1.00 0.00 ATOM 1708 N ILE A 219 -22.239 71.070 9.142 1.00 0.00 ATOM 1709 CA ILE A 219 -21.459 69.831 9.336 1.00 0.00 ATOM 1710 CB ILE A 219 -20.591 69.889 10.608 1.00 0.00 ATOM 1711 CG1 ILE A 219 -19.501 70.936 10.452 1.00 0.00 ATOM 1712 CG2 ILE A 219 -19.963 68.516 10.948 1.00 0.00 ATOM 1713 CD1 ILE A 219 -18.959 71.358 11.850 1.00 0.00 ATOM 1714 O ILE A 219 -22.059 67.544 8.928 1.00 0.00 ATOM 1715 C ILE A 219 -22.386 68.622 9.423 1.00 0.00 ATOM 1716 N LEU A 220 -23.605 68.824 9.911 1.00 0.00 ATOM 1717 CA LEU A 220 -24.547 67.724 10.005 1.00 0.00 ATOM 1718 CB LEU A 220 -25.733 68.112 10.885 1.00 0.00 ATOM 1719 CG LEU A 220 -25.391 68.406 12.341 1.00 0.00 ATOM 1720 CD1 LEU A 220 -26.645 68.920 13.045 1.00 0.00 ATOM 1721 CD2 LEU A 220 -24.766 67.208 13.082 1.00 0.00 ATOM 1722 O LEU A 220 -25.406 66.046 8.500 1.00 0.00 ATOM 1723 C LEU A 220 -25.029 67.217 8.640 1.00 0.00 ATOM 1724 N LYS A 221 -25.023 68.086 7.640 1.00 0.00 ATOM 1725 CA LYS A 221 -25.382 67.702 6.284 1.00 0.00 ATOM 1726 CB LYS A 221 -25.492 68.969 5.424 1.00 0.00 ATOM 1727 CG LYS A 221 -26.653 69.858 5.810 1.00 0.00 ATOM 1728 CD LYS A 221 -26.543 71.265 5.254 1.00 0.00 ATOM 1729 CE LYS A 221 -27.809 72.096 5.622 1.00 0.00 ATOM 1730 NZ LYS A 221 -27.724 73.527 5.190 1.00 0.00 ATOM 1731 O LYS A 221 -24.685 65.976 4.756 1.00 0.00 ATOM 1732 C LYS A 221 -24.374 66.717 5.662 1.00 0.00 ATOM 1733 N ILE A 222 -23.156 66.681 6.165 1.00 0.00 ATOM 1734 CA ILE A 222 -22.127 65.813 5.620 1.00 0.00 ATOM 1735 CB ILE A 222 -20.794 66.626 5.217 1.00 0.00 ATOM 1736 CG1 ILE A 222 -20.073 67.222 6.389 1.00 0.00 ATOM 1737 CG2 ILE A 222 -21.135 67.743 4.255 1.00 0.00 ATOM 1738 CD1 ILE A 222 -18.754 67.883 6.031 1.00 0.00 ATOM 1739 O ILE A 222 -20.811 63.941 6.268 1.00 0.00 ATOM 1740 C ILE A 222 -21.788 64.655 6.533 1.00 0.00 ATOM 1741 N THR A 223 -22.518 64.487 7.639 1.00 0.00 ATOM 1742 CA THR A 223 -22.227 63.387 8.596 1.00 0.00 ATOM 1743 CB THR A 223 -21.747 63.890 9.965 1.00 0.00 ATOM 1744 CG2 THR A 223 -20.348 64.459 9.847 1.00 0.00 ATOM 1745 OG1 THR A 223 -22.672 64.882 10.431 1.00 0.00 ATOM 1746 O THR A 223 -23.393 61.616 9.672 1.00 0.00 ATOM 1747 C THR A 223 -23.428 62.502 8.821 1.00 0.00 ATOM 1748 N GLN A 224 -24.475 62.765 8.054 1.00 0.00 ATOM 1749 CA GLN A 224 -25.628 61.923 7.950 1.00 0.00 ATOM 1750 CB GLN A 224 -25.664 60.888 9.073 1.00 0.00 ATOM 1751 O GLN A 224 -27.284 63.319 6.905 1.00 0.00 ATOM 1752 C GLN A 224 -26.828 62.872 7.967 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0303)Q56.C and (T0303)E67.C only 0.000 apart, marking (T0303)E67.C as missing WARNING: atoms too close: (T0303)R57.N and (T0303)K68.N only 0.000 apart, marking (T0303)R57.N as missing WARNING: atoms too close: (T0303)R57.CA and (T0303)K68.CA only 0.000 apart, marking (T0303)R57.CA as missing WARNING: atoms too close: (T0303)Q110.C and (T0303)G111.C only 0.000 apart, marking (T0303)G111.C as missing WARNING: atoms too close: (T0303)G111.N and (T0303)Y112.N only 0.000 apart, marking (T0303)G111.N as missing WARNING: atoms too close: (T0303)G111.CA and (T0303)Y112.CA only 0.000 apart, marking (T0303)G111.CA as missing WARNING: atoms too close: (T0303)K151.C and (T0303)H153.C only 0.000 apart, marking (T0303)H153.C as missing WARNING: atoms too close: (T0303)P152.N and (T0303)P154.N only 0.000 apart, marking (T0303)P152.N as missing WARNING: atoms too close: (T0303)P152.CA and (T0303)P154.CA only 0.000 apart, marking (T0303)P152.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:Warning: Couldn't open file decoys/align1.gdt for output # fraction of real conformation used = 0.906 # GDT_score = -68.750 # GDT_score(maxd=8.000,maxw=2.900)= -72.905 # GDT_score(maxd=8.000,maxw=3.200)= -69.042 # GDT_score(maxd=8.000,maxw=3.500)= -65.278 # GDT_score(maxd=10.000,maxw=3.800)= -67.631 # GDT_score(maxd=10.000,maxw=4.000)= -65.317 # GDT_score(maxd=10.000,maxw=4.200)= -63.067 # GDT_score(maxd=12.000,maxw=4.300)= -66.468 # GDT_score(maxd=12.000,maxw=4.500)= -64.297 # GDT_score(maxd=12.000,maxw=4.700)= -62.227 # GDT_score(maxd=14.000,maxw=5.200)= -60.817 # GDT_score(maxd=14.000,maxw=5.500)= -58.088 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0303)D60.C and (T0303)A66.C only 0.000 apart, marking (T0303)A66.C as missing WARNING: atoms too close: (T0303)W61.N and (T0303)E67.N only 0.000 apart, marking (T0303)W61.N as missing WARNING: atoms too close: (T0303)W61.CA and (T0303)E67.CA only 0.000 apart, marking (T0303)W61.CA as missing WARNING: atoms too close: (T0303)S207.C and (T0303)K208.C only 0.000 apart, marking (T0303)K208.C as missing WARNING: atoms too close: (T0303)K208.N and (T0303)P209.N only 0.000 apart, marking (T0303)K208.N as missing WARNING: atoms too close: (T0303)K208.CA and (T0303)P209.CA only 0.000 apart, marking (T0303)K208.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.897 # GDT_score = -60.045 # GDT_score(maxd=8.000,maxw=2.900)= -62.947 # GDT_score(maxd=8.000,maxw=3.200)= -59.567 # GDT_score(maxd=8.000,maxw=3.500)= -56.381 # GDT_score(maxd=10.000,maxw=3.800)= -59.374 # GDT_score(maxd=10.000,maxw=4.000)= -57.336 # GDT_score(maxd=10.000,maxw=4.200)= -55.345 # GDT_score(maxd=12.000,maxw=4.300)= -58.971 # GDT_score(maxd=12.000,maxw=4.500)= -57.018 # GDT_score(maxd=12.000,maxw=4.700)= -55.130 # GDT_score(maxd=14.000,maxw=5.200)= -54.228 # GDT_score(maxd=14.000,maxw=5.500)= -51.694 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0303)D60.C and (T0303)T64.C only 0.000 apart, marking (T0303)T64.C as missing WARNING: atoms too close: (T0303)W61.N and (T0303)Q65.N only 0.000 apart, marking (T0303)W61.N as missing WARNING: atoms too close: (T0303)W61.CA and (T0303)Q65.CA only 0.000 apart, marking (T0303)W61.CA as missing WARNING: atoms too close: (T0303)L107.C and (T0303)Q110.C only 0.000 apart, marking (T0303)Q110.C as missing WARNING: atoms too close: (T0303)K108.N and (T0303)G111.N only 0.000 apart, marking (T0303)K108.N as missing WARNING: atoms too close: (T0303)K108.CA and (T0303)G111.CA only 0.000 apart, marking (T0303)K108.CA as missing WARNING: atoms too close: (T0303)T195.C and (T0303)Y196.C only 0.000 apart, marking (T0303)Y196.C as missing WARNING: atoms too close: (T0303)Y196.N and (T0303)G197.N only 0.000 apart, marking (T0303)Y196.N as missing WARNING: atoms too close: (T0303)Y196.CA and (T0303)G197.CA only 0.000 apart, marking (T0303)Y196.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0303)Y86.C and (T0303)L90.C only 0.000 apart, marking (T0303)L90.C as missing WARNING: atoms too close: (T0303)G87.N and (T0303)C91.N only 0.000 apart, marking (T0303)G87.N as missing WARNING: atoms too close: (T0303)G87.CA and (T0303)C91.CA only 0.000 apart, marking (T0303)G87.CA as missing WARNING: atoms too close: (T0303)Q110.C and (T0303)G111.C only 0.000 apart, marking (T0303)G111.C as missing WARNING: atoms too close: (T0303)G111.N and (T0303)Y112.N only 0.000 apart, marking (T0303)G111.N as missing WARNING: atoms too close: (T0303)G111.CA and (T0303)Y112.CA only 0.000 apart, marking (T0303)G111.CA as missing WARNING: atoms too close: (T0303)P203.C and (T0303)I204.C only 0.000 apart, marking (T0303)I204.C as missing WARNING: atoms too close: (T0303)I204.N and (T0303)A205.N only 0.000 apart, marking (T0303)I204.N as missing WARNING: atoms too close: (T0303)I204.CA and (T0303)A205.CA only 0.000 apart, marking (T0303)I204.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0303)L30.C and (T0303)S39.C only 0.000 apart, marking (T0303)S39.C as missing WARNING: atoms too close: (T0303)K31.N and (T0303)E40.N only 0.000 apart, marking (T0303)K31.N as missing WARNING: atoms too close: (T0303)K31.CA and (T0303)E40.CA only 0.000 apart, marking (T0303)K31.CA as missing WARNING: atoms too close: (T0303)F82.C and (T0303)C91.C only 0.000 apart, marking (T0303)C91.C as missing WARNING: atoms too close: (T0303)G83.N and (T0303)N92.N only 0.000 apart, marking (T0303)G83.N as missing WARNING: atoms too close: (T0303)G83.CA and (T0303)N92.CA only 0.000 apart, marking (T0303)G83.CA as missing WARNING: atoms too close: (T0303)P203.C and (T0303)I204.C only 0.000 apart, marking (T0303)I204.C as missing WARNING: atoms too close: (T0303)I204.N and (T0303)A205.N only 0.000 apart, marking (T0303)I204.N as missing WARNING: atoms too close: (T0303)I204.CA and (T0303)A205.CA only 0.000 apart, marking (T0303)I204.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align5 # command:# Prefix for input files set to decoys/ # command:# reading script from file read-pdb+servers.under # ReadConformPDB reading from PDB file ../model1.ts-submitted looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0303.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try1-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0303.try1-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0303.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2116996221.pdb -s /var/tmp/to_scwrl_2116996221.seq -o /var/tmp/from_scwrl_2116996221.pdb > /var/tmp/scwrl_2116996221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116996221.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1916045227.pdb -s /var/tmp/to_scwrl_1916045227.seq -o /var/tmp/from_scwrl_1916045227.pdb > /var/tmp/scwrl_1916045227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1916045227.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_423132854.pdb -s /var/tmp/to_scwrl_423132854.seq -o /var/tmp/from_scwrl_423132854.pdb > /var/tmp/scwrl_423132854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423132854.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1281081330.pdb -s /var/tmp/to_scwrl_1281081330.seq -o /var/tmp/from_scwrl_1281081330.pdb > /var/tmp/scwrl_1281081330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281081330.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1833454532.pdb -s /var/tmp/to_scwrl_1833454532.seq -o /var/tmp/from_scwrl_1833454532.pdb > /var/tmp/scwrl_1833454532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1833454532.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_506283225.pdb -s /var/tmp/to_scwrl_506283225.seq -o /var/tmp/from_scwrl_506283225.pdb > /var/tmp/scwrl_506283225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_506283225.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_381946825.pdb -s /var/tmp/to_scwrl_381946825.seq -o /var/tmp/from_scwrl_381946825.pdb > /var/tmp/scwrl_381946825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_381946825.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_967633129.pdb -s /var/tmp/to_scwrl_967633129.seq -o /var/tmp/from_scwrl_967633129.pdb > /var/tmp/scwrl_967633129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_967633129.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1866131408.pdb -s /var/tmp/to_scwrl_1866131408.seq -o /var/tmp/from_scwrl_1866131408.pdb > /var/tmp/scwrl_1866131408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1866131408.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1531283777.pdb -s /var/tmp/to_scwrl_1531283777.seq -o /var/tmp/from_scwrl_1531283777.pdb > /var/tmp/scwrl_1531283777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1531283777.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1331201164.pdb -s /var/tmp/to_scwrl_1331201164.seq -o /var/tmp/from_scwrl_1331201164.pdb > /var/tmp/scwrl_1331201164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1331201164.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_350377697.pdb -s /var/tmp/to_scwrl_350377697.seq -o /var/tmp/from_scwrl_350377697.pdb > /var/tmp/scwrl_350377697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_350377697.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1796764288.pdb -s /var/tmp/to_scwrl_1796764288.seq -o /var/tmp/from_scwrl_1796764288.pdb > /var/tmp/scwrl_1796764288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796764288.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1705846231.pdb -s /var/tmp/to_scwrl_1705846231.seq -o /var/tmp/from_scwrl_1705846231.pdb > /var/tmp/scwrl_1705846231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1705846231.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_621595435.pdb -s /var/tmp/to_scwrl_621595435.seq -o /var/tmp/from_scwrl_621595435.pdb > /var/tmp/scwrl_621595435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_621595435.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_116110473.pdb -s /var/tmp/to_scwrl_116110473.seq -o /var/tmp/from_scwrl_116110473.pdb > /var/tmp/scwrl_116110473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_116110473.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1878865303.pdb -s /var/tmp/to_scwrl_1878865303.seq -o /var/tmp/from_scwrl_1878865303.pdb > /var/tmp/scwrl_1878865303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1878865303.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1897292260.pdb -s /var/tmp/to_scwrl_1897292260.seq -o /var/tmp/from_scwrl_1897292260.pdb > /var/tmp/scwrl_1897292260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897292260.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_62448151.pdb -s /var/tmp/to_scwrl_62448151.seq -o /var/tmp/from_scwrl_62448151.pdb > /var/tmp/scwrl_62448151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_62448151.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_982642890.pdb -s /var/tmp/to_scwrl_982642890.seq -o /var/tmp/from_scwrl_982642890.pdb > /var/tmp/scwrl_982642890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_982642890.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1371753002.pdb -s /var/tmp/to_scwrl_1371753002.seq -o /var/tmp/from_scwrl_1371753002.pdb > /var/tmp/scwrl_1371753002.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371753002.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_803447283.pdb -s /var/tmp/to_scwrl_803447283.seq -o /var/tmp/from_scwrl_803447283.pdb > /var/tmp/scwrl_803447283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803447283.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1836555310.pdb -s /var/tmp/to_scwrl_1836555310.seq -o /var/tmp/from_scwrl_1836555310.pdb > /var/tmp/scwrl_1836555310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1836555310.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1582546105.pdb -s /var/tmp/to_scwrl_1582546105.seq -o /var/tmp/from_scwrl_1582546105.pdb > /var/tmp/scwrl_1582546105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1582546105.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1820258855.pdb -s /var/tmp/to_scwrl_1820258855.seq -o /var/tmp/from_scwrl_1820258855.pdb > /var/tmp/scwrl_1820258855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1820258855.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 3 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1279425312.pdb -s /var/tmp/to_scwrl_1279425312.seq -o /var/tmp/from_scwrl_1279425312.pdb > /var/tmp/scwrl_1279425312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279425312.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_352040469.pdb -s /var/tmp/to_scwrl_352040469.seq -o /var/tmp/from_scwrl_352040469.pdb > /var/tmp/scwrl_352040469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_352040469.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1002108777.pdb -s /var/tmp/to_scwrl_1002108777.seq -o /var/tmp/from_scwrl_1002108777.pdb > /var/tmp/scwrl_1002108777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1002108777.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_265902192.pdb -s /var/tmp/to_scwrl_265902192.seq -o /var/tmp/from_scwrl_265902192.pdb > /var/tmp/scwrl_265902192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265902192.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_693830609.pdb -s /var/tmp/to_scwrl_693830609.seq -o /var/tmp/from_scwrl_693830609.pdb > /var/tmp/scwrl_693830609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_693830609.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_32552559.pdb -s /var/tmp/to_scwrl_32552559.seq -o /var/tmp/from_scwrl_32552559.pdb > /var/tmp/scwrl_32552559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_32552559.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_235414767.pdb -s /var/tmp/to_scwrl_235414767.seq -o /var/tmp/from_scwrl_235414767.pdb > /var/tmp/scwrl_235414767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_235414767.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_462392189.pdb -s /var/tmp/to_scwrl_462392189.seq -o /var/tmp/from_scwrl_462392189.pdb > /var/tmp/scwrl_462392189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_462392189.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_455685413.pdb -s /var/tmp/to_scwrl_455685413.seq -o /var/tmp/from_scwrl_455685413.pdb > /var/tmp/scwrl_455685413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_455685413.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1516496097.pdb -s /var/tmp/to_scwrl_1516496097.seq -o /var/tmp/from_scwrl_1516496097.pdb > /var/tmp/scwrl_1516496097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1516496097.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_148363074.pdb -s /var/tmp/to_scwrl_148363074.seq -o /var/tmp/from_scwrl_148363074.pdb > /var/tmp/scwrl_148363074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_148363074.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_961968638.pdb -s /var/tmp/to_scwrl_961968638.seq -o /var/tmp/from_scwrl_961968638.pdb > /var/tmp/scwrl_961968638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_961968638.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1898442923.pdb -s /var/tmp/to_scwrl_1898442923.seq -o /var/tmp/from_scwrl_1898442923.pdb > /var/tmp/scwrl_1898442923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1898442923.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1115996202.pdb -s /var/tmp/to_scwrl_1115996202.seq -o /var/tmp/from_scwrl_1115996202.pdb > /var/tmp/scwrl_1115996202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1115996202.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_680616399.pdb -s /var/tmp/to_scwrl_680616399.seq -o /var/tmp/from_scwrl_680616399.pdb > /var/tmp/scwrl_680616399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_680616399.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1282243053.pdb -s /var/tmp/to_scwrl_1282243053.seq -o /var/tmp/from_scwrl_1282243053.pdb > /var/tmp/scwrl_1282243053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282243053.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_299713721.pdb -s /var/tmp/to_scwrl_299713721.seq -o /var/tmp/from_scwrl_299713721.pdb > /var/tmp/scwrl_299713721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_299713721.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1030994096.pdb -s /var/tmp/to_scwrl_1030994096.seq -o /var/tmp/from_scwrl_1030994096.pdb > /var/tmp/scwrl_1030994096.log Error: Couldn't open file /var/tmp/from_scwrl_1030994096.pdb or /var/tmp/from_scwrl_1030994096.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1030994096_b.pdb or decoys//var/tmp/from_scwrl_1030994096_b.pdb.gz for input Trying /var/tmp/from_scwrl_1030994096_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1030994096_b.pdb or /var/tmp/from_scwrl_1030994096_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1030994096_a.pdb or decoys//var/tmp/from_scwrl_1030994096_a.pdb.gz for input Trying /var/tmp/from_scwrl_1030994096_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1030994096_a.pdb or /var/tmp/from_scwrl_1030994096_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1030994096.pdb or /var/tmp/from_scwrl_1030994096_b.pdb or /var/tmp/from_scwrl_1030994096_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS1-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_931523695.pdb -s /var/tmp/to_scwrl_931523695.seq -o /var/tmp/from_scwrl_931523695.pdb > /var/tmp/scwrl_931523695.log Error: Couldn't open file /var/tmp/from_scwrl_931523695.pdb or /var/tmp/from_scwrl_931523695.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_931523695_b.pdb or decoys//var/tmp/from_scwrl_931523695_b.pdb.gz for input Trying /var/tmp/from_scwrl_931523695_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_931523695_b.pdb or /var/tmp/from_scwrl_931523695_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_931523695_a.pdb or decoys//var/tmp/from_scwrl_931523695_a.pdb.gz for input Trying /var/tmp/from_scwrl_931523695_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_931523695_a.pdb or /var/tmp/from_scwrl_931523695_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_931523695.pdb or /var/tmp/from_scwrl_931523695_b.pdb or /var/tmp/from_scwrl_931523695_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS2-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2005559952.pdb -s /var/tmp/to_scwrl_2005559952.seq -o /var/tmp/from_scwrl_2005559952.pdb > /var/tmp/scwrl_2005559952.log Error: Couldn't open file /var/tmp/from_scwrl_2005559952.pdb or /var/tmp/from_scwrl_2005559952.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2005559952_b.pdb or decoys//var/tmp/from_scwrl_2005559952_b.pdb.gz for input Trying /var/tmp/from_scwrl_2005559952_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2005559952_b.pdb or /var/tmp/from_scwrl_2005559952_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2005559952_a.pdb or decoys//var/tmp/from_scwrl_2005559952_a.pdb.gz for input Trying /var/tmp/from_scwrl_2005559952_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2005559952_a.pdb or /var/tmp/from_scwrl_2005559952_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2005559952.pdb or /var/tmp/from_scwrl_2005559952_b.pdb or /var/tmp/from_scwrl_2005559952_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS3-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1652589530.pdb -s /var/tmp/to_scwrl_1652589530.seq -o /var/tmp/from_scwrl_1652589530.pdb > /var/tmp/scwrl_1652589530.log Error: Couldn't open file /var/tmp/from_scwrl_1652589530.pdb or /var/tmp/from_scwrl_1652589530.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1652589530_b.pdb or decoys//var/tmp/from_scwrl_1652589530_b.pdb.gz for input Trying /var/tmp/from_scwrl_1652589530_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1652589530_b.pdb or /var/tmp/from_scwrl_1652589530_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1652589530_a.pdb or decoys//var/tmp/from_scwrl_1652589530_a.pdb.gz for input Trying /var/tmp/from_scwrl_1652589530_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1652589530_a.pdb or /var/tmp/from_scwrl_1652589530_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1652589530.pdb or /var/tmp/from_scwrl_1652589530_b.pdb or /var/tmp/from_scwrl_1652589530_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS4-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1047634169.pdb -s /var/tmp/to_scwrl_1047634169.seq -o /var/tmp/from_scwrl_1047634169.pdb > /var/tmp/scwrl_1047634169.log Error: Couldn't open file /var/tmp/from_scwrl_1047634169.pdb or /var/tmp/from_scwrl_1047634169.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1047634169_b.pdb or decoys//var/tmp/from_scwrl_1047634169_b.pdb.gz for input Trying /var/tmp/from_scwrl_1047634169_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1047634169_b.pdb or /var/tmp/from_scwrl_1047634169_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1047634169_a.pdb or decoys//var/tmp/from_scwrl_1047634169_a.pdb.gz for input Trying /var/tmp/from_scwrl_1047634169_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1047634169_a.pdb or /var/tmp/from_scwrl_1047634169_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1047634169.pdb or /var/tmp/from_scwrl_1047634169_b.pdb or /var/tmp/from_scwrl_1047634169_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1736941609.pdb -s /var/tmp/to_scwrl_1736941609.seq -o /var/tmp/from_scwrl_1736941609.pdb > /var/tmp/scwrl_1736941609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1736941609.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1402398144.pdb -s /var/tmp/to_scwrl_1402398144.seq -o /var/tmp/from_scwrl_1402398144.pdb > /var/tmp/scwrl_1402398144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1402398144.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1110082319.pdb -s /var/tmp/to_scwrl_1110082319.seq -o /var/tmp/from_scwrl_1110082319.pdb > /var/tmp/scwrl_1110082319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1110082319.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_572100852.pdb -s /var/tmp/to_scwrl_572100852.seq -o /var/tmp/from_scwrl_572100852.pdb > /var/tmp/scwrl_572100852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_572100852.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_626667500.pdb -s /var/tmp/to_scwrl_626667500.seq -o /var/tmp/from_scwrl_626667500.pdb > /var/tmp/scwrl_626667500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_626667500.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1913529603.pdb -s /var/tmp/to_scwrl_1913529603.seq -o /var/tmp/from_scwrl_1913529603.pdb > /var/tmp/scwrl_1913529603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913529603.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_261172515.pdb -s /var/tmp/to_scwrl_261172515.seq -o /var/tmp/from_scwrl_261172515.pdb > /var/tmp/scwrl_261172515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_261172515.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_61729958.pdb -s /var/tmp/to_scwrl_61729958.seq -o /var/tmp/from_scwrl_61729958.pdb > /var/tmp/scwrl_61729958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_61729958.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1586304811.pdb -s /var/tmp/to_scwrl_1586304811.seq -o /var/tmp/from_scwrl_1586304811.pdb > /var/tmp/scwrl_1586304811.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1586304811.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1540597827.pdb -s /var/tmp/to_scwrl_1540597827.seq -o /var/tmp/from_scwrl_1540597827.pdb > /var/tmp/scwrl_1540597827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1540597827.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_413770427.pdb -s /var/tmp/to_scwrl_413770427.seq -o /var/tmp/from_scwrl_413770427.pdb > /var/tmp/scwrl_413770427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_413770427.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_440929942.pdb -s /var/tmp/to_scwrl_440929942.seq -o /var/tmp/from_scwrl_440929942.pdb > /var/tmp/scwrl_440929942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440929942.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1806500019.pdb -s /var/tmp/to_scwrl_1806500019.seq -o /var/tmp/from_scwrl_1806500019.pdb > /var/tmp/scwrl_1806500019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1806500019.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1107601036.pdb -s /var/tmp/to_scwrl_1107601036.seq -o /var/tmp/from_scwrl_1107601036.pdb > /var/tmp/scwrl_1107601036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107601036.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_473482501.pdb -s /var/tmp/to_scwrl_473482501.seq -o /var/tmp/from_scwrl_473482501.pdb > /var/tmp/scwrl_473482501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_473482501.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2041914786.pdb -s /var/tmp/to_scwrl_2041914786.seq -o /var/tmp/from_scwrl_2041914786.pdb > /var/tmp/scwrl_2041914786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2041914786.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1569993225.pdb -s /var/tmp/to_scwrl_1569993225.seq -o /var/tmp/from_scwrl_1569993225.pdb > /var/tmp/scwrl_1569993225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1569993225.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_929167914.pdb -s /var/tmp/to_scwrl_929167914.seq -o /var/tmp/from_scwrl_929167914.pdb > /var/tmp/scwrl_929167914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_929167914.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 834, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 836, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 838, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 840, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 842, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 844, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 846, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 848, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 850, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 852, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 854, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 856, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 858, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 860, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 862, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 864, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 866, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 868, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 870, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 872, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 874, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 876, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1410927237.pdb -s /var/tmp/to_scwrl_1410927237.seq -o /var/tmp/from_scwrl_1410927237.pdb > /var/tmp/scwrl_1410927237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1410927237.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1718356300.pdb -s /var/tmp/to_scwrl_1718356300.seq -o /var/tmp/from_scwrl_1718356300.pdb > /var/tmp/scwrl_1718356300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718356300.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1891136551.pdb -s /var/tmp/to_scwrl_1891136551.seq -o /var/tmp/from_scwrl_1891136551.pdb > /var/tmp/scwrl_1891136551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1891136551.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1161886513.pdb -s /var/tmp/to_scwrl_1161886513.seq -o /var/tmp/from_scwrl_1161886513.pdb > /var/tmp/scwrl_1161886513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1161886513.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_686868856.pdb -s /var/tmp/to_scwrl_686868856.seq -o /var/tmp/from_scwrl_686868856.pdb > /var/tmp/scwrl_686868856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_686868856.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 834, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 836, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 838, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 840, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 842, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 844, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 846, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 848, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 850, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 852, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 854, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 856, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 858, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 860, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 862, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 864, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 866, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 868, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 870, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 872, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 874, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 876, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_424269303.pdb -s /var/tmp/to_scwrl_424269303.seq -o /var/tmp/from_scwrl_424269303.pdb > /var/tmp/scwrl_424269303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424269303.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_296645920.pdb -s /var/tmp/to_scwrl_296645920.seq -o /var/tmp/from_scwrl_296645920.pdb > /var/tmp/scwrl_296645920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_296645920.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_986582577.pdb -s /var/tmp/to_scwrl_986582577.seq -o /var/tmp/from_scwrl_986582577.pdb > /var/tmp/scwrl_986582577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_986582577.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1455263398.pdb -s /var/tmp/to_scwrl_1455263398.seq -o /var/tmp/from_scwrl_1455263398.pdb > /var/tmp/scwrl_1455263398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1455263398.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1228169615.pdb -s /var/tmp/to_scwrl_1228169615.seq -o /var/tmp/from_scwrl_1228169615.pdb > /var/tmp/scwrl_1228169615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228169615.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_844658883.pdb -s /var/tmp/to_scwrl_844658883.seq -o /var/tmp/from_scwrl_844658883.pdb > /var/tmp/scwrl_844658883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844658883.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_960369283.pdb -s /var/tmp/to_scwrl_960369283.seq -o /var/tmp/from_scwrl_960369283.pdb > /var/tmp/scwrl_960369283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_960369283.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_128320137.pdb -s /var/tmp/to_scwrl_128320137.seq -o /var/tmp/from_scwrl_128320137.pdb > /var/tmp/scwrl_128320137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_128320137.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_434116845.pdb -s /var/tmp/to_scwrl_434116845.seq -o /var/tmp/from_scwrl_434116845.pdb > /var/tmp/scwrl_434116845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_434116845.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_215283780.pdb -s /var/tmp/to_scwrl_215283780.seq -o /var/tmp/from_scwrl_215283780.pdb > /var/tmp/scwrl_215283780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215283780.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1238402456.pdb -s /var/tmp/to_scwrl_1238402456.seq -o /var/tmp/from_scwrl_1238402456.pdb > /var/tmp/scwrl_1238402456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1238402456.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1006217697.pdb -s /var/tmp/to_scwrl_1006217697.seq -o /var/tmp/from_scwrl_1006217697.pdb > /var/tmp/scwrl_1006217697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1006217697.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_841951280.pdb -s /var/tmp/to_scwrl_841951280.seq -o /var/tmp/from_scwrl_841951280.pdb > /var/tmp/scwrl_841951280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_841951280.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1004448413.pdb -s /var/tmp/to_scwrl_1004448413.seq -o /var/tmp/from_scwrl_1004448413.pdb > /var/tmp/scwrl_1004448413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1004448413.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1267390211.pdb -s /var/tmp/to_scwrl_1267390211.seq -o /var/tmp/from_scwrl_1267390211.pdb > /var/tmp/scwrl_1267390211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1267390211.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_903681239.pdb -s /var/tmp/to_scwrl_903681239.seq -o /var/tmp/from_scwrl_903681239.pdb > /var/tmp/scwrl_903681239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903681239.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_443269578.pdb -s /var/tmp/to_scwrl_443269578.seq -o /var/tmp/from_scwrl_443269578.pdb > /var/tmp/scwrl_443269578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_443269578.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_660504392.pdb -s /var/tmp/to_scwrl_660504392.seq -o /var/tmp/from_scwrl_660504392.pdb > /var/tmp/scwrl_660504392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660504392.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1317451665.pdb -s /var/tmp/to_scwrl_1317451665.seq -o /var/tmp/from_scwrl_1317451665.pdb > /var/tmp/scwrl_1317451665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1317451665.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_884199520.pdb -s /var/tmp/to_scwrl_884199520.seq -o /var/tmp/from_scwrl_884199520.pdb > /var/tmp/scwrl_884199520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_884199520.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_319520764.pdb -s /var/tmp/to_scwrl_319520764.seq -o /var/tmp/from_scwrl_319520764.pdb > /var/tmp/scwrl_319520764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_319520764.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_277569055.pdb -s /var/tmp/to_scwrl_277569055.seq -o /var/tmp/from_scwrl_277569055.pdb > /var/tmp/scwrl_277569055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_277569055.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1357682020.pdb -s /var/tmp/to_scwrl_1357682020.seq -o /var/tmp/from_scwrl_1357682020.pdb > /var/tmp/scwrl_1357682020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1357682020.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_213951904.pdb -s /var/tmp/to_scwrl_213951904.seq -o /var/tmp/from_scwrl_213951904.pdb > /var/tmp/scwrl_213951904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213951904.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1847562281.pdb -s /var/tmp/to_scwrl_1847562281.seq -o /var/tmp/from_scwrl_1847562281.pdb > /var/tmp/scwrl_1847562281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1847562281.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_139366287.pdb -s /var/tmp/to_scwrl_139366287.seq -o /var/tmp/from_scwrl_139366287.pdb > /var/tmp/scwrl_139366287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_139366287.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1624879141.pdb -s /var/tmp/to_scwrl_1624879141.seq -o /var/tmp/from_scwrl_1624879141.pdb > /var/tmp/scwrl_1624879141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1624879141.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1418434934.pdb -s /var/tmp/to_scwrl_1418434934.seq -o /var/tmp/from_scwrl_1418434934.pdb > /var/tmp/scwrl_1418434934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1418434934.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2030502838.pdb -s /var/tmp/to_scwrl_2030502838.seq -o /var/tmp/from_scwrl_2030502838.pdb > /var/tmp/scwrl_2030502838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030502838.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_639282008.pdb -s /var/tmp/to_scwrl_639282008.seq -o /var/tmp/from_scwrl_639282008.pdb > /var/tmp/scwrl_639282008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639282008.pdb # conformation set from SCWRL output # naming current conformation HHpred3_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2105303790.pdb -s /var/tmp/to_scwrl_2105303790.seq -o /var/tmp/from_scwrl_2105303790.pdb > /var/tmp/scwrl_2105303790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105303790.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_307288494.pdb -s /var/tmp/to_scwrl_307288494.seq -o /var/tmp/from_scwrl_307288494.pdb > /var/tmp/scwrl_307288494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_307288494.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_935927928.pdb -s /var/tmp/to_scwrl_935927928.seq -o /var/tmp/from_scwrl_935927928.pdb > /var/tmp/scwrl_935927928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_935927928.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_944402721.pdb -s /var/tmp/to_scwrl_944402721.seq -o /var/tmp/from_scwrl_944402721.pdb > /var/tmp/scwrl_944402721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_944402721.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1762551892.pdb -s /var/tmp/to_scwrl_1762551892.seq -o /var/tmp/from_scwrl_1762551892.pdb > /var/tmp/scwrl_1762551892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1762551892.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_16613896.pdb -s /var/tmp/to_scwrl_16613896.seq -o /var/tmp/from_scwrl_16613896.pdb > /var/tmp/scwrl_16613896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16613896.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1789061603.pdb -s /var/tmp/to_scwrl_1789061603.seq -o /var/tmp/from_scwrl_1789061603.pdb > /var/tmp/scwrl_1789061603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1789061603.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_575437528.pdb -s /var/tmp/to_scwrl_575437528.seq -o /var/tmp/from_scwrl_575437528.pdb > /var/tmp/scwrl_575437528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575437528.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_144934033.pdb -s /var/tmp/to_scwrl_144934033.seq -o /var/tmp/from_scwrl_144934033.pdb > /var/tmp/scwrl_144934033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_144934033.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_75694801.pdb -s /var/tmp/to_scwrl_75694801.seq -o /var/tmp/from_scwrl_75694801.pdb > /var/tmp/scwrl_75694801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_75694801.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 70, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 72, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_790721308.pdb -s /var/tmp/to_scwrl_790721308.seq -o /var/tmp/from_scwrl_790721308.pdb > /var/tmp/scwrl_790721308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790721308.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1383336490.pdb -s /var/tmp/to_scwrl_1383336490.seq -o /var/tmp/from_scwrl_1383336490.pdb > /var/tmp/scwrl_1383336490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1383336490.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1081912497.pdb -s /var/tmp/to_scwrl_1081912497.seq -o /var/tmp/from_scwrl_1081912497.pdb > /var/tmp/scwrl_1081912497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081912497.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1632672588.pdb -s /var/tmp/to_scwrl_1632672588.seq -o /var/tmp/from_scwrl_1632672588.pdb > /var/tmp/scwrl_1632672588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1632672588.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_240301256.pdb -s /var/tmp/to_scwrl_240301256.seq -o /var/tmp/from_scwrl_240301256.pdb > /var/tmp/scwrl_240301256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240301256.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_201819062.pdb -s /var/tmp/to_scwrl_201819062.seq -o /var/tmp/from_scwrl_201819062.pdb > /var/tmp/scwrl_201819062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201819062.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_388870180.pdb -s /var/tmp/to_scwrl_388870180.seq -o /var/tmp/from_scwrl_388870180.pdb > /var/tmp/scwrl_388870180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_388870180.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_683570834.pdb -s /var/tmp/to_scwrl_683570834.seq -o /var/tmp/from_scwrl_683570834.pdb > /var/tmp/scwrl_683570834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_683570834.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_862323454.pdb -s /var/tmp/to_scwrl_862323454.seq -o /var/tmp/from_scwrl_862323454.pdb > /var/tmp/scwrl_862323454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862323454.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1706321845.pdb -s /var/tmp/to_scwrl_1706321845.seq -o /var/tmp/from_scwrl_1706321845.pdb > /var/tmp/scwrl_1706321845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1706321845.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1567770353.pdb -s /var/tmp/to_scwrl_1567770353.seq -o /var/tmp/from_scwrl_1567770353.pdb > /var/tmp/scwrl_1567770353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1567770353.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1181844217.pdb -s /var/tmp/to_scwrl_1181844217.seq -o /var/tmp/from_scwrl_1181844217.pdb > /var/tmp/scwrl_1181844217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1181844217.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1983890901.pdb -s /var/tmp/to_scwrl_1983890901.seq -o /var/tmp/from_scwrl_1983890901.pdb > /var/tmp/scwrl_1983890901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1983890901.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_777968727.pdb -s /var/tmp/to_scwrl_777968727.seq -o /var/tmp/from_scwrl_777968727.pdb > /var/tmp/scwrl_777968727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_777968727.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1395796121.pdb -s /var/tmp/to_scwrl_1395796121.seq -o /var/tmp/from_scwrl_1395796121.pdb > /var/tmp/scwrl_1395796121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1395796121.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1683969535.pdb -s /var/tmp/to_scwrl_1683969535.seq -o /var/tmp/from_scwrl_1683969535.pdb > /var/tmp/scwrl_1683969535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1683969535.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_917335014.pdb -s /var/tmp/to_scwrl_917335014.seq -o /var/tmp/from_scwrl_917335014.pdb > /var/tmp/scwrl_917335014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917335014.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_873191616.pdb -s /var/tmp/to_scwrl_873191616.seq -o /var/tmp/from_scwrl_873191616.pdb > /var/tmp/scwrl_873191616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_873191616.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_954920823.pdb -s /var/tmp/to_scwrl_954920823.seq -o /var/tmp/from_scwrl_954920823.pdb > /var/tmp/scwrl_954920823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_954920823.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_800354205.pdb -s /var/tmp/to_scwrl_800354205.seq -o /var/tmp/from_scwrl_800354205.pdb > /var/tmp/scwrl_800354205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_800354205.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1512473623.pdb -s /var/tmp/to_scwrl_1512473623.seq -o /var/tmp/from_scwrl_1512473623.pdb > /var/tmp/scwrl_1512473623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1512473623.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_912740966.pdb -s /var/tmp/to_scwrl_912740966.seq -o /var/tmp/from_scwrl_912740966.pdb > /var/tmp/scwrl_912740966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912740966.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1107642698.pdb -s /var/tmp/to_scwrl_1107642698.seq -o /var/tmp/from_scwrl_1107642698.pdb > /var/tmp/scwrl_1107642698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107642698.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_300917905.pdb -s /var/tmp/to_scwrl_300917905.seq -o /var/tmp/from_scwrl_300917905.pdb > /var/tmp/scwrl_300917905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300917905.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1857143686.pdb -s /var/tmp/to_scwrl_1857143686.seq -o /var/tmp/from_scwrl_1857143686.pdb > /var/tmp/scwrl_1857143686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1857143686.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_722710945.pdb -s /var/tmp/to_scwrl_722710945.seq -o /var/tmp/from_scwrl_722710945.pdb > /var/tmp/scwrl_722710945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_722710945.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_317531801.pdb -s /var/tmp/to_scwrl_317531801.seq -o /var/tmp/from_scwrl_317531801.pdb > /var/tmp/scwrl_317531801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317531801.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1498721642.pdb -s /var/tmp/to_scwrl_1498721642.seq -o /var/tmp/from_scwrl_1498721642.pdb > /var/tmp/scwrl_1498721642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1498721642.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1298148472.pdb -s /var/tmp/to_scwrl_1298148472.seq -o /var/tmp/from_scwrl_1298148472.pdb > /var/tmp/scwrl_1298148472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1298148472.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_462465835.pdb -s /var/tmp/to_scwrl_462465835.seq -o /var/tmp/from_scwrl_462465835.pdb > /var/tmp/scwrl_462465835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_462465835.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1574416443.pdb -s /var/tmp/to_scwrl_1574416443.seq -o /var/tmp/from_scwrl_1574416443.pdb > /var/tmp/scwrl_1574416443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574416443.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2088869781.pdb -s /var/tmp/to_scwrl_2088869781.seq -o /var/tmp/from_scwrl_2088869781.pdb > /var/tmp/scwrl_2088869781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2088869781.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1845802325.pdb -s /var/tmp/to_scwrl_1845802325.seq -o /var/tmp/from_scwrl_1845802325.pdb > /var/tmp/scwrl_1845802325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845802325.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_508845294.pdb -s /var/tmp/to_scwrl_508845294.seq -o /var/tmp/from_scwrl_508845294.pdb > /var/tmp/scwrl_508845294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_508845294.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1574058722.pdb -s /var/tmp/to_scwrl_1574058722.seq -o /var/tmp/from_scwrl_1574058722.pdb > /var/tmp/scwrl_1574058722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574058722.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2086103581.pdb -s /var/tmp/to_scwrl_2086103581.seq -o /var/tmp/from_scwrl_2086103581.pdb > /var/tmp/scwrl_2086103581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2086103581.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_710664356.pdb -s /var/tmp/to_scwrl_710664356.seq -o /var/tmp/from_scwrl_710664356.pdb > /var/tmp/scwrl_710664356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710664356.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1962928902.pdb -s /var/tmp/to_scwrl_1962928902.seq -o /var/tmp/from_scwrl_1962928902.pdb > /var/tmp/scwrl_1962928902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962928902.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_622190769.pdb -s /var/tmp/to_scwrl_622190769.seq -o /var/tmp/from_scwrl_622190769.pdb > /var/tmp/scwrl_622190769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_622190769.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1572987809.pdb -s /var/tmp/to_scwrl_1572987809.seq -o /var/tmp/from_scwrl_1572987809.pdb > /var/tmp/scwrl_1572987809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1572987809.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1521767100.pdb -s /var/tmp/to_scwrl_1521767100.seq -o /var/tmp/from_scwrl_1521767100.pdb > /var/tmp/scwrl_1521767100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521767100.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_42477475.pdb -s /var/tmp/to_scwrl_42477475.seq -o /var/tmp/from_scwrl_42477475.pdb > /var/tmp/scwrl_42477475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_42477475.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_607348381.pdb -s /var/tmp/to_scwrl_607348381.seq -o /var/tmp/from_scwrl_607348381.pdb > /var/tmp/scwrl_607348381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_607348381.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1358174354.pdb -s /var/tmp/to_scwrl_1358174354.seq -o /var/tmp/from_scwrl_1358174354.pdb > /var/tmp/scwrl_1358174354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1358174354.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_820446203.pdb -s /var/tmp/to_scwrl_820446203.seq -o /var/tmp/from_scwrl_820446203.pdb > /var/tmp/scwrl_820446203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_820446203.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2003144502.pdb -s /var/tmp/to_scwrl_2003144502.seq -o /var/tmp/from_scwrl_2003144502.pdb > /var/tmp/scwrl_2003144502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2003144502.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_894660243.pdb -s /var/tmp/to_scwrl_894660243.seq -o /var/tmp/from_scwrl_894660243.pdb > /var/tmp/scwrl_894660243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_894660243.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1737781216.pdb -s /var/tmp/to_scwrl_1737781216.seq -o /var/tmp/from_scwrl_1737781216.pdb > /var/tmp/scwrl_1737781216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1737781216.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_728852472.pdb -s /var/tmp/to_scwrl_728852472.seq -o /var/tmp/from_scwrl_728852472.pdb > /var/tmp/scwrl_728852472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_728852472.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1849581065.pdb -s /var/tmp/to_scwrl_1849581065.seq -o /var/tmp/from_scwrl_1849581065.pdb > /var/tmp/scwrl_1849581065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849581065.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_390651775.pdb -s /var/tmp/to_scwrl_390651775.seq -o /var/tmp/from_scwrl_390651775.pdb > /var/tmp/scwrl_390651775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_390651775.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_93842448.pdb -s /var/tmp/to_scwrl_93842448.seq -o /var/tmp/from_scwrl_93842448.pdb > /var/tmp/scwrl_93842448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_93842448.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_614838385.pdb -s /var/tmp/to_scwrl_614838385.seq -o /var/tmp/from_scwrl_614838385.pdb > /var/tmp/scwrl_614838385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_614838385.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1498294473.pdb -s /var/tmp/to_scwrl_1498294473.seq -o /var/tmp/from_scwrl_1498294473.pdb > /var/tmp/scwrl_1498294473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1498294473.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_394760353.pdb -s /var/tmp/to_scwrl_394760353.seq -o /var/tmp/from_scwrl_394760353.pdb > /var/tmp/scwrl_394760353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394760353.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_324498424.pdb -s /var/tmp/to_scwrl_324498424.seq -o /var/tmp/from_scwrl_324498424.pdb > /var/tmp/scwrl_324498424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324498424.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_73521771.pdb -s /var/tmp/to_scwrl_73521771.seq -o /var/tmp/from_scwrl_73521771.pdb > /var/tmp/scwrl_73521771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_73521771.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_712292155.pdb -s /var/tmp/to_scwrl_712292155.seq -o /var/tmp/from_scwrl_712292155.pdb > /var/tmp/scwrl_712292155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712292155.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1823220067.pdb -s /var/tmp/to_scwrl_1823220067.seq -o /var/tmp/from_scwrl_1823220067.pdb > /var/tmp/scwrl_1823220067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1823220067.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1371670244.pdb -s /var/tmp/to_scwrl_1371670244.seq -o /var/tmp/from_scwrl_1371670244.pdb > /var/tmp/scwrl_1371670244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371670244.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1174757989.pdb -s /var/tmp/to_scwrl_1174757989.seq -o /var/tmp/from_scwrl_1174757989.pdb > /var/tmp/scwrl_1174757989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174757989.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1250152863.pdb -s /var/tmp/to_scwrl_1250152863.seq -o /var/tmp/from_scwrl_1250152863.pdb > /var/tmp/scwrl_1250152863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250152863.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1313056378.pdb -s /var/tmp/to_scwrl_1313056378.seq -o /var/tmp/from_scwrl_1313056378.pdb > /var/tmp/scwrl_1313056378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1313056378.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_873076668.pdb -s /var/tmp/to_scwrl_873076668.seq -o /var/tmp/from_scwrl_873076668.pdb > /var/tmp/scwrl_873076668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_873076668.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1758998158.pdb -s /var/tmp/to_scwrl_1758998158.seq -o /var/tmp/from_scwrl_1758998158.pdb > /var/tmp/scwrl_1758998158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1758998158.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_739631454.pdb -s /var/tmp/to_scwrl_739631454.seq -o /var/tmp/from_scwrl_739631454.pdb > /var/tmp/scwrl_739631454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_739631454.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 678, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 680, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_811696602.pdb -s /var/tmp/to_scwrl_811696602.seq -o /var/tmp/from_scwrl_811696602.pdb > /var/tmp/scwrl_811696602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_811696602.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_322178867.pdb -s /var/tmp/to_scwrl_322178867.seq -o /var/tmp/from_scwrl_322178867.pdb > /var/tmp/scwrl_322178867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322178867.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_555076709.pdb -s /var/tmp/to_scwrl_555076709.seq -o /var/tmp/from_scwrl_555076709.pdb > /var/tmp/scwrl_555076709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_555076709.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1433887370.pdb -s /var/tmp/to_scwrl_1433887370.seq -o /var/tmp/from_scwrl_1433887370.pdb > /var/tmp/scwrl_1433887370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1433887370.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1895166677.pdb -s /var/tmp/to_scwrl_1895166677.seq -o /var/tmp/from_scwrl_1895166677.pdb > /var/tmp/scwrl_1895166677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895166677.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 Skipped atom 19, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2076843809.pdb -s /var/tmp/to_scwrl_2076843809.seq -o /var/tmp/from_scwrl_2076843809.pdb > /var/tmp/scwrl_2076843809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076843809.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1476364846.pdb -s /var/tmp/to_scwrl_1476364846.seq -o /var/tmp/from_scwrl_1476364846.pdb > /var/tmp/scwrl_1476364846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1476364846.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_355031411.pdb -s /var/tmp/to_scwrl_355031411.seq -o /var/tmp/from_scwrl_355031411.pdb > /var/tmp/scwrl_355031411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_355031411.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1287534517.pdb -s /var/tmp/to_scwrl_1287534517.seq -o /var/tmp/from_scwrl_1287534517.pdb > /var/tmp/scwrl_1287534517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287534517.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_149327402.pdb -s /var/tmp/to_scwrl_149327402.seq -o /var/tmp/from_scwrl_149327402.pdb > /var/tmp/scwrl_149327402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_149327402.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_210692266.pdb -s /var/tmp/to_scwrl_210692266.seq -o /var/tmp/from_scwrl_210692266.pdb > /var/tmp/scwrl_210692266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_210692266.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_34711113.pdb -s /var/tmp/to_scwrl_34711113.seq -o /var/tmp/from_scwrl_34711113.pdb > /var/tmp/scwrl_34711113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34711113.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1887108618.pdb -s /var/tmp/to_scwrl_1887108618.seq -o /var/tmp/from_scwrl_1887108618.pdb > /var/tmp/scwrl_1887108618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1887108618.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_939544738.pdb -s /var/tmp/to_scwrl_939544738.seq -o /var/tmp/from_scwrl_939544738.pdb > /var/tmp/scwrl_939544738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_939544738.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1884292179.pdb -s /var/tmp/to_scwrl_1884292179.seq -o /var/tmp/from_scwrl_1884292179.pdb > /var/tmp/scwrl_1884292179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1884292179.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_130276746.pdb -s /var/tmp/to_scwrl_130276746.seq -o /var/tmp/from_scwrl_130276746.pdb > /var/tmp/scwrl_130276746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_130276746.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1033387187.pdb -s /var/tmp/to_scwrl_1033387187.seq -o /var/tmp/from_scwrl_1033387187.pdb > /var/tmp/scwrl_1033387187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1033387187.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_351646917.pdb -s /var/tmp/to_scwrl_351646917.seq -o /var/tmp/from_scwrl_351646917.pdb > /var/tmp/scwrl_351646917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_351646917.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1628571220.pdb -s /var/tmp/to_scwrl_1628571220.seq -o /var/tmp/from_scwrl_1628571220.pdb > /var/tmp/scwrl_1628571220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1628571220.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1428147539.pdb -s /var/tmp/to_scwrl_1428147539.seq -o /var/tmp/from_scwrl_1428147539.pdb > /var/tmp/scwrl_1428147539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1428147539.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_676145341.pdb -s /var/tmp/to_scwrl_676145341.seq -o /var/tmp/from_scwrl_676145341.pdb > /var/tmp/scwrl_676145341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_676145341.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1702092991.pdb -s /var/tmp/to_scwrl_1702092991.seq -o /var/tmp/from_scwrl_1702092991.pdb > /var/tmp/scwrl_1702092991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702092991.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2140439694.pdb -s /var/tmp/to_scwrl_2140439694.seq -o /var/tmp/from_scwrl_2140439694.pdb > /var/tmp/scwrl_2140439694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2140439694.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_351881761.pdb -s /var/tmp/to_scwrl_351881761.seq -o /var/tmp/from_scwrl_351881761.pdb > /var/tmp/scwrl_351881761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_351881761.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_926279589.pdb -s /var/tmp/to_scwrl_926279589.seq -o /var/tmp/from_scwrl_926279589.pdb > /var/tmp/scwrl_926279589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926279589.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1167714036.pdb -s /var/tmp/to_scwrl_1167714036.seq -o /var/tmp/from_scwrl_1167714036.pdb > /var/tmp/scwrl_1167714036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1167714036.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1602034625.pdb -s /var/tmp/to_scwrl_1602034625.seq -o /var/tmp/from_scwrl_1602034625.pdb > /var/tmp/scwrl_1602034625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1602034625.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_91852320.pdb -s /var/tmp/to_scwrl_91852320.seq -o /var/tmp/from_scwrl_91852320.pdb > /var/tmp/scwrl_91852320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91852320.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2040790704.pdb -s /var/tmp/to_scwrl_2040790704.seq -o /var/tmp/from_scwrl_2040790704.pdb > /var/tmp/scwrl_2040790704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040790704.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1213549136.pdb -s /var/tmp/to_scwrl_1213549136.seq -o /var/tmp/from_scwrl_1213549136.pdb > /var/tmp/scwrl_1213549136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1213549136.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_831483774.pdb -s /var/tmp/to_scwrl_831483774.seq -o /var/tmp/from_scwrl_831483774.pdb > /var/tmp/scwrl_831483774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_831483774.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_705003660.pdb -s /var/tmp/to_scwrl_705003660.seq -o /var/tmp/from_scwrl_705003660.pdb > /var/tmp/scwrl_705003660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_705003660.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1535728003.pdb -s /var/tmp/to_scwrl_1535728003.seq -o /var/tmp/from_scwrl_1535728003.pdb > /var/tmp/scwrl_1535728003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1535728003.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1386560482.pdb -s /var/tmp/to_scwrl_1386560482.seq -o /var/tmp/from_scwrl_1386560482.pdb > /var/tmp/scwrl_1386560482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386560482.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2138891030.pdb -s /var/tmp/to_scwrl_2138891030.seq -o /var/tmp/from_scwrl_2138891030.pdb > /var/tmp/scwrl_2138891030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138891030.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1283411033.pdb -s /var/tmp/to_scwrl_1283411033.seq -o /var/tmp/from_scwrl_1283411033.pdb > /var/tmp/scwrl_1283411033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283411033.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1315920645.pdb -s /var/tmp/to_scwrl_1315920645.seq -o /var/tmp/from_scwrl_1315920645.pdb > /var/tmp/scwrl_1315920645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315920645.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 678, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 680, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1467772229.pdb -s /var/tmp/to_scwrl_1467772229.seq -o /var/tmp/from_scwrl_1467772229.pdb > /var/tmp/scwrl_1467772229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1467772229.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1638442444.pdb -s /var/tmp/to_scwrl_1638442444.seq -o /var/tmp/from_scwrl_1638442444.pdb > /var/tmp/scwrl_1638442444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1638442444.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_455971516.pdb -s /var/tmp/to_scwrl_455971516.seq -o /var/tmp/from_scwrl_455971516.pdb > /var/tmp/scwrl_455971516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_455971516.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1617099631.pdb -s /var/tmp/to_scwrl_1617099631.seq -o /var/tmp/from_scwrl_1617099631.pdb > /var/tmp/scwrl_1617099631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1617099631.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1849134711.pdb -s /var/tmp/to_scwrl_1849134711.seq -o /var/tmp/from_scwrl_1849134711.pdb > /var/tmp/scwrl_1849134711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849134711.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_490682629.pdb -s /var/tmp/to_scwrl_490682629.seq -o /var/tmp/from_scwrl_490682629.pdb > /var/tmp/scwrl_490682629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_490682629.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1356724603.pdb -s /var/tmp/to_scwrl_1356724603.seq -o /var/tmp/from_scwrl_1356724603.pdb > /var/tmp/scwrl_1356724603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1356724603.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_641195802.pdb -s /var/tmp/to_scwrl_641195802.seq -o /var/tmp/from_scwrl_641195802.pdb > /var/tmp/scwrl_641195802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_641195802.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_227491161.pdb -s /var/tmp/to_scwrl_227491161.seq -o /var/tmp/from_scwrl_227491161.pdb > /var/tmp/scwrl_227491161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227491161.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1487001349.pdb -s /var/tmp/to_scwrl_1487001349.seq -o /var/tmp/from_scwrl_1487001349.pdb > /var/tmp/scwrl_1487001349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1487001349.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1674582988.pdb -s /var/tmp/to_scwrl_1674582988.seq -o /var/tmp/from_scwrl_1674582988.pdb > /var/tmp/scwrl_1674582988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1674582988.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_579138078.pdb -s /var/tmp/to_scwrl_579138078.seq -o /var/tmp/from_scwrl_579138078.pdb > /var/tmp/scwrl_579138078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579138078.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_968088923.pdb -s /var/tmp/to_scwrl_968088923.seq -o /var/tmp/from_scwrl_968088923.pdb > /var/tmp/scwrl_968088923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_968088923.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_955246882.pdb -s /var/tmp/to_scwrl_955246882.seq -o /var/tmp/from_scwrl_955246882.pdb > /var/tmp/scwrl_955246882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_955246882.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1255283419.pdb -s /var/tmp/to_scwrl_1255283419.seq -o /var/tmp/from_scwrl_1255283419.pdb > /var/tmp/scwrl_1255283419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255283419.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_522698268.pdb -s /var/tmp/to_scwrl_522698268.seq -o /var/tmp/from_scwrl_522698268.pdb > /var/tmp/scwrl_522698268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_522698268.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_948202929.pdb -s /var/tmp/to_scwrl_948202929.seq -o /var/tmp/from_scwrl_948202929.pdb > /var/tmp/scwrl_948202929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_948202929.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1607165180.pdb -s /var/tmp/to_scwrl_1607165180.seq -o /var/tmp/from_scwrl_1607165180.pdb > /var/tmp/scwrl_1607165180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1607165180.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1448977856.pdb -s /var/tmp/to_scwrl_1448977856.seq -o /var/tmp/from_scwrl_1448977856.pdb > /var/tmp/scwrl_1448977856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1448977856.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2115916966.pdb -s /var/tmp/to_scwrl_2115916966.seq -o /var/tmp/from_scwrl_2115916966.pdb > /var/tmp/scwrl_2115916966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2115916966.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1061716159.pdb -s /var/tmp/to_scwrl_1061716159.seq -o /var/tmp/from_scwrl_1061716159.pdb > /var/tmp/scwrl_1061716159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061716159.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1540830177.pdb -s /var/tmp/to_scwrl_1540830177.seq -o /var/tmp/from_scwrl_1540830177.pdb > /var/tmp/scwrl_1540830177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1540830177.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2009224023.pdb -s /var/tmp/to_scwrl_2009224023.seq -o /var/tmp/from_scwrl_2009224023.pdb > /var/tmp/scwrl_2009224023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2009224023.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)G144.O and (T0303)Q145.N only 0.000 apart, marking (T0303)Q145.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_127781648.pdb -s /var/tmp/to_scwrl_127781648.seq -o /var/tmp/from_scwrl_127781648.pdb > /var/tmp/scwrl_127781648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127781648.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)H124.O and (T0303)V125.N only 0.000 apart, marking (T0303)V125.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_224830304.pdb -s /var/tmp/to_scwrl_224830304.seq -o /var/tmp/from_scwrl_224830304.pdb > /var/tmp/scwrl_224830304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224830304.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_566744036.pdb -s /var/tmp/to_scwrl_566744036.seq -o /var/tmp/from_scwrl_566744036.pdb > /var/tmp/scwrl_566744036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_566744036.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)V116.O and (T0303)V117.N only 0.000 apart, marking (T0303)V117.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1663509652.pdb -s /var/tmp/to_scwrl_1663509652.seq -o /var/tmp/from_scwrl_1663509652.pdb > /var/tmp/scwrl_1663509652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1663509652.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)P152.O and (T0303)H153.N only 0.000 apart, marking (T0303)H153.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1611390787.pdb -s /var/tmp/to_scwrl_1611390787.seq -o /var/tmp/from_scwrl_1611390787.pdb > /var/tmp/scwrl_1611390787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1611390787.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_558151420.pdb -s /var/tmp/to_scwrl_558151420.seq -o /var/tmp/from_scwrl_558151420.pdb > /var/tmp/scwrl_558151420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558151420.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_799437039.pdb -s /var/tmp/to_scwrl_799437039.seq -o /var/tmp/from_scwrl_799437039.pdb > /var/tmp/scwrl_799437039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_799437039.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_779827786.pdb -s /var/tmp/to_scwrl_779827786.seq -o /var/tmp/from_scwrl_779827786.pdb > /var/tmp/scwrl_779827786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_779827786.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2025923649.pdb -s /var/tmp/to_scwrl_2025923649.seq -o /var/tmp/from_scwrl_2025923649.pdb > /var/tmp/scwrl_2025923649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2025923649.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_290395837.pdb -s /var/tmp/to_scwrl_290395837.seq -o /var/tmp/from_scwrl_290395837.pdb > /var/tmp/scwrl_290395837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_290395837.pdb # conformation set from SCWRL output # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1235799301.pdb -s /var/tmp/to_scwrl_1235799301.seq -o /var/tmp/from_scwrl_1235799301.pdb > /var/tmp/scwrl_1235799301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235799301.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1495539634.pdb -s /var/tmp/to_scwrl_1495539634.seq -o /var/tmp/from_scwrl_1495539634.pdb > /var/tmp/scwrl_1495539634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1495539634.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2139530548.pdb -s /var/tmp/to_scwrl_2139530548.seq -o /var/tmp/from_scwrl_2139530548.pdb > /var/tmp/scwrl_2139530548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2139530548.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1726481930.pdb -s /var/tmp/to_scwrl_1726481930.seq -o /var/tmp/from_scwrl_1726481930.pdb > /var/tmp/scwrl_1726481930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726481930.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_704780591.pdb -s /var/tmp/to_scwrl_704780591.seq -o /var/tmp/from_scwrl_704780591.pdb > /var/tmp/scwrl_704780591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_704780591.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_633242703.pdb -s /var/tmp/to_scwrl_633242703.seq -o /var/tmp/from_scwrl_633242703.pdb > /var/tmp/scwrl_633242703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_633242703.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1953973092.pdb -s /var/tmp/to_scwrl_1953973092.seq -o /var/tmp/from_scwrl_1953973092.pdb > /var/tmp/scwrl_1953973092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1953973092.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 64.269 sec, elapsed time= 384.726 sec. # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.anglevector.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 58.929 real_cost = -119.722 shub_TS1 costs 58.929 real_cost = -103.859 panther2_TS1-scwrl costs 66.111 real_cost = -1.272 panther2_TS1 costs 66.158 real_cost = 14.021 nFOLD_TS5-scwrl costs 47.059 real_cost = -54.139 nFOLD_TS5 costs 47.077 real_cost = 46.438 nFOLD_TS4-scwrl costs 50.834 real_cost = 6.376 nFOLD_TS4 costs 50.871 real_cost = 113.561 nFOLD_TS3-scwrl costs 59.819 real_cost = 3.653 nFOLD_TS3 costs 59.819 real_cost = 129.445 nFOLD_TS2-scwrl costs 47.099 real_cost = -74.572 nFOLD_TS2 costs 47.101 real_cost = 32.680 nFOLD_TS1-scwrl costs 51.372 real_cost = -17.493 nFOLD_TS1 costs 51.372 real_cost = 116.339 mGen-3D_TS1-scwrl costs 49.978 real_cost = -88.209 mGen-3D_TS1 costs 49.988 real_cost = 17.593 karypis.srv_TS4-scwrl costs 57.852 real_cost = 7.644 karypis.srv_TS4 costs 57.852 real_cost = 7.644 karypis.srv_TS3-scwrl costs 58.315 real_cost = 10.479 karypis.srv_TS3 costs 58.315 real_cost = 10.476 karypis.srv_TS2-scwrl costs 49.227 real_cost = -91.379 karypis.srv_TS2 costs 49.227 real_cost = -91.392 karypis.srv_TS1-scwrl costs 47.779 real_cost = -53.018 karypis.srv_TS1 costs 47.779 real_cost = -52.937 karypis.srv.4_TS5-scwrl costs 126.323 real_cost = 293.559 karypis.srv.4_TS5 costs 126.323 real_cost = 293.555 karypis.srv.4_TS4-scwrl costs 156.961 real_cost = 335.688 karypis.srv.4_TS4 costs 156.961 real_cost = 335.695 karypis.srv.4_TS3-scwrl costs 133.881 real_cost = 300.480 karypis.srv.4_TS3 costs 133.881 real_cost = 298.946 karypis.srv.4_TS2-scwrl costs 153.358 real_cost = 316.243 karypis.srv.4_TS2 costs 153.358 real_cost = 316.072 karypis.srv.4_TS1-scwrl costs 143.783 real_cost = 269.773 karypis.srv.4_TS1 costs 143.783 real_cost = 270.579 karypis.srv.2_TS5-scwrl costs 57.541 real_cost = -91.005 karypis.srv.2_TS5 costs 57.541 real_cost = -91.044 karypis.srv.2_TS4-scwrl costs 54.233 real_cost = -103.197 karypis.srv.2_TS4 costs 54.233 real_cost = -103.180 karypis.srv.2_TS3-scwrl costs 50.134 real_cost = -95.579 karypis.srv.2_TS3 costs 50.134 real_cost = -95.579 karypis.srv.2_TS2-scwrl costs 53.754 real_cost = -81.651 karypis.srv.2_TS2 costs 53.754 real_cost = -81.714 karypis.srv.2_TS1-scwrl costs 48.150 real_cost = -95.001 karypis.srv.2_TS1 costs 48.150 real_cost = -95.001 gtg_AL5-scwrl costs 58.404 real_cost = -14.654 gtg_AL5 costs 58.340 real_cost = 90.386 gtg_AL4-scwrl costs 70.392 real_cost = 65.631 gtg_AL4 costs 70.425 real_cost = 200.594 gtg_AL3-scwrl costs 103.844 real_cost = 216.893 gtg_AL3 costs 103.872 real_cost = 336.515 gtg_AL2-scwrl costs 53.817 real_cost = -43.107 gtg_AL2 costs 53.898 real_cost = 87.398 gtg_AL1-scwrl costs 108.146 real_cost = 206.643 gtg_AL1 costs 108.185 real_cost = 332.622 forecast-s_AL5-scwrl costs 76.444 real_cost = 105.984 forecast-s_AL5 costs 76.429 real_cost = 248.289 forecast-s_AL4-scwrl costs 64.013 real_cost = 44.683 forecast-s_AL4 costs 64.036 real_cost = 186.563 forecast-s_AL3-scwrl costs 59.823 real_cost = 9.911 forecast-s_AL3 costs 59.823 real_cost = 167.475 forecast-s_AL2-scwrl costs 51.322 real_cost = -95.779 forecast-s_AL2 costs 51.322 real_cost = 63.859 forecast-s_AL1-scwrl costs 50.831 real_cost = -31.899 forecast-s_AL1 costs 50.878 real_cost = 115.369 beautshotbase_TS1-scwrl costs 53.174 real_cost = -129.202 beautshotbase_TS1 costs 53.174 real_cost = -123.901 beautshot_TS1-scwrl costs 59.688 real_cost = -138.040 beautshot_TS1 costs 59.688 real_cost = -141.400 Zhang-Server_TS5-scwrl costs 67.764 real_cost = -3.097 Zhang-Server_TS5 costs 67.764 real_cost = -3.923 Zhang-Server_TS4-scwrl costs 53.100 real_cost = -4.637 Zhang-Server_TS4 costs 53.100 real_cost = -1.040 Zhang-Server_TS3-scwrl costs 46.856 real_cost = -119.083 Zhang-Server_TS3 costs 46.856 real_cost = -116.614 Zhang-Server_TS2-scwrl costs 43.084 real_cost = -192.056 Zhang-Server_TS2 costs 43.084 real_cost = -186.549 Zhang-Server_TS1-scwrl costs 44.976 real_cost = -198.121 Zhang-Server_TS1 costs 44.976 real_cost = -191.070 UNI-EID_sfst_AL5-scwrl costs 51.427 real_cost = -48.972 UNI-EID_sfst_AL5 costs 51.425 real_cost = 91.954 UNI-EID_sfst_AL4-scwrl costs 53.090 real_cost = -57.411 UNI-EID_sfst_AL4 costs 53.153 real_cost = 79.571 UNI-EID_sfst_AL3-scwrl costs 51.631 real_cost = -80.008 UNI-EID_sfst_AL3 costs 51.625 real_cost = 78.367 UNI-EID_sfst_AL2-scwrl costs 52.723 real_cost = -81.359 UNI-EID_sfst_AL2 costs 52.759 real_cost = 56.584 UNI-EID_sfst_AL1-scwrl costs 46.788 real_cost = -131.533 UNI-EID_sfst_AL1 costs 46.715 real_cost = 13.061 UNI-EID_expm_TS1-scwrl costs 73.928 real_cost = -11.854 UNI-EID_expm_TS1 costs 73.928 real_cost = -21.458 UNI-EID_bnmx_TS5-scwrl costs 52.402 real_cost = -49.852 UNI-EID_bnmx_TS5 costs 52.411 real_cost = 91.985 UNI-EID_bnmx_TS4-scwrl costs 55.504 real_cost = -63.400 UNI-EID_bnmx_TS4 costs 55.499 real_cost = 71.905 UNI-EID_bnmx_TS3-scwrl costs 58.070 real_cost = 13.320 UNI-EID_bnmx_TS3 costs 58.064 real_cost = 174.852 UNI-EID_bnmx_TS2-scwrl costs 51.205 real_cost = -86.659 UNI-EID_bnmx_TS2 costs 51.238 real_cost = 55.040 UNI-EID_bnmx_TS1-scwrl costs 46.788 real_cost = -131.533 UNI-EID_bnmx_TS1 costs 46.715 real_cost = 13.061 SPARKS2_TS5-scwrl costs 53.245 real_cost = -71.381 SPARKS2_TS5 costs 53.245 real_cost = -70.762 SPARKS2_TS4-scwrl costs 65.164 real_cost = 13.392 SPARKS2_TS4 costs 65.164 real_cost = 22.257 SPARKS2_TS3-scwrl costs 46.761 real_cost = -30.429 SPARKS2_TS3 costs 46.761 real_cost = -28.883 SPARKS2_TS2-scwrl costs 50.249 real_cost = -154.943 SPARKS2_TS2 costs 50.249 real_cost = -152.926 SPARKS2_TS1-scwrl costs 51.260 real_cost = -62.736 SPARKS2_TS1 costs 51.260 real_cost = -59.323 SP4_TS5-scwrl costs 53.279 real_cost = -99.723 SP4_TS5 costs 53.279 real_cost = -97.661 SP4_TS4-scwrl costs 60.954 real_cost = 16.550 SP4_TS4 costs 60.954 real_cost = 18.429 SP4_TS3-scwrl costs 52.585 real_cost = -118.033 SP4_TS3 costs 52.585 real_cost = -111.823 SP4_TS2-scwrl costs 48.629 real_cost = -52.482 SP4_TS2 costs 48.629 real_cost = -46.795 SP4_TS1-scwrl costs 53.643 real_cost = -130.198 SP4_TS1 costs 53.643 real_cost = -130.633 SP3_TS5-scwrl costs 54.908 real_cost = -112.802 SP3_TS5 costs 54.908 real_cost = -105.157 SP3_TS4-scwrl costs 53.839 real_cost = -67.727 SP3_TS4 costs 53.839 real_cost = -65.973 SP3_TS3-scwrl costs 65.681 real_cost = 6.426 SP3_TS3 costs 65.681 real_cost = 13.147 SP3_TS2-scwrl costs 51.116 real_cost = -28.086 SP3_TS2 costs 51.116 real_cost = -20.544 SP3_TS1-scwrl costs 53.643 real_cost = -130.198 SP3_TS1 costs 53.643 real_cost = -130.633 SAM_T06_server_TS5-scwrl costs 53.077 real_cost = -9.415 SAM_T06_server_TS5 costs 53.255 real_cost = -48.016 SAM_T06_server_TS4-scwrl costs 66.689 real_cost = 50.301 SAM_T06_server_TS4 costs 66.719 real_cost = -4.311 SAM_T06_server_TS3-scwrl costs 55.547 real_cost = 28.297 SAM_T06_server_TS3 costs 55.542 real_cost = -25.092 SAM_T06_server_TS2-scwrl costs 51.808 real_cost = -30.885 SAM_T06_server_TS2 costs 51.668 real_cost = -88.896 SAM_T06_server_TS1-scwrl costs 60.903 real_cost = -8.069 SAM_T06_server_TS1 costs 60.903 real_cost = -8.153 SAM-T99_AL5-scwrl costs 49.070 real_cost = -88.785 SAM-T99_AL5 costs 49.071 real_cost = 59.782 SAM-T99_AL4-scwrl costs 51.093 real_cost = -24.180 SAM-T99_AL4 costs 51.032 real_cost = 129.931 SAM-T99_AL3-scwrl costs 50.025 real_cost = -35.110 SAM-T99_AL3 costs 50.024 real_cost = 98.215 SAM-T99_AL2-scwrl costs 53.136 real_cost = -55.459 SAM-T99_AL2 costs 53.107 real_cost = 73.303 SAM-T99_AL1-scwrl costs 50.397 real_cost = -114.954 SAM-T99_AL1 costs 50.374 real_cost = 19.621 SAM-T02_AL5-scwrl costs 52.867 real_cost = -79.177 SAM-T02_AL5 costs 52.889 real_cost = 59.930 SAM-T02_AL4-scwrl costs 54.846 real_cost = -45.342 SAM-T02_AL4 costs 54.842 real_cost = 97.623 SAM-T02_AL3-scwrl costs 56.786 real_cost = 3.076 SAM-T02_AL3 costs 56.897 real_cost = 153.010 SAM-T02_AL2-scwrl costs 58.363 real_cost = 9.405 SAM-T02_AL2 costs 58.360 real_cost = 166.901 SAM-T02_AL1-scwrl costs 46.862 real_cost = -119.422 SAM-T02_AL1 costs 46.795 real_cost = 17.227 ROKKY_TS5-scwrl costs 58.766 real_cost = -90.422 ROKKY_TS5 costs 58.766 real_cost = -85.365 ROKKY_TS4-scwrl costs 55.069 real_cost = 17.430 ROKKY_TS4 costs 55.069 real_cost = 25.662 ROKKY_TS3-scwrl costs 58.411 real_cost = 10.684 ROKKY_TS3 costs 58.411 real_cost = 15.651 ROKKY_TS2-scwrl costs 69.275 real_cost = -31.749 ROKKY_TS2 costs 69.275 real_cost = -27.550 ROKKY_TS1-scwrl costs 45.997 real_cost = -171.633 ROKKY_TS1 costs 45.997 real_cost = -171.164 ROBETTA_TS5-scwrl costs 39.243 real_cost = -80.691 ROBETTA_TS5 costs 39.243 real_cost = -77.208 ROBETTA_TS4-scwrl costs 35.936 real_cost = -161.299 ROBETTA_TS4 costs 35.936 real_cost = -163.434 ROBETTA_TS3-scwrl costs 37.097 real_cost = -170.475 ROBETTA_TS3 costs 37.097 real_cost = -171.689 ROBETTA_TS2-scwrl costs 41.022 real_cost = -95.017 ROBETTA_TS2 costs 41.022 real_cost = -99.683 ROBETTA_TS1-scwrl costs 38.966 real_cost = -91.041 ROBETTA_TS1 costs 38.966 real_cost = -90.351 RAPTOR_TS5-scwrl costs 67.151 real_cost = 26.440 RAPTOR_TS5 costs 67.151 real_cost = 32.915 RAPTOR_TS4-scwrl costs 55.482 real_cost = -107.277 RAPTOR_TS4 costs 55.482 real_cost = -101.509 RAPTOR_TS3-scwrl costs 63.069 real_cost = -62.691 RAPTOR_TS3 costs 63.069 real_cost = -59.789 RAPTOR_TS2-scwrl costs 46.451 real_cost = -122.123 RAPTOR_TS2 costs 46.451 real_cost = -123.997 RAPTOR_TS1-scwrl costs 46.686 real_cost = -100.136 RAPTOR_TS1 costs 46.686 real_cost = -97.893 RAPTORESS_TS5-scwrl costs 63.509 real_cost = -23.435 RAPTORESS_TS5 costs 63.509 real_cost = -13.175 RAPTORESS_TS4-scwrl costs 61.527 real_cost = -90.680 RAPTORESS_TS4 costs 61.527 real_cost = -84.272 RAPTORESS_TS3-scwrl costs 68.192 real_cost = -47.292 RAPTORESS_TS3 costs 68.192 real_cost = -41.097 RAPTORESS_TS2-scwrl costs 50.455 real_cost = -112.392 RAPTORESS_TS2 costs 50.455 real_cost = -113.111 RAPTORESS_TS1-scwrl costs 55.194 real_cost = -92.555 RAPTORESS_TS1 costs 55.194 real_cost = -81.590 RAPTOR-ACE_TS5-scwrl costs 57.535 real_cost = -13.359 RAPTOR-ACE_TS5 costs 57.535 real_cost = -13.088 RAPTOR-ACE_TS4-scwrl costs 44.463 real_cost = -126.966 RAPTOR-ACE_TS4 costs 44.463 real_cost = -124.684 RAPTOR-ACE_TS3-scwrl costs 48.882 real_cost = -136.083 RAPTOR-ACE_TS3 costs 48.882 real_cost = -135.465 RAPTOR-ACE_TS2-scwrl costs 53.643 real_cost = -130.198 RAPTOR-ACE_TS2 costs 53.643 real_cost = -130.633 RAPTOR-ACE_TS1-scwrl costs 47.449 real_cost = -138.408 RAPTOR-ACE_TS1 costs 47.449 real_cost = -136.236 Pmodeller6_TS5-scwrl costs 35.936 real_cost = -161.299 Pmodeller6_TS5 costs 35.936 real_cost = -163.434 Pmodeller6_TS4-scwrl costs 47.232 real_cost = -158.367 Pmodeller6_TS4 costs 47.232 real_cost = -158.344 Pmodeller6_TS3-scwrl costs 47.232 real_cost = -158.367 Pmodeller6_TS3 costs 47.232 real_cost = -158.344 Pmodeller6_TS2-scwrl costs 49.072 real_cost = -157.164 Pmodeller6_TS2 costs 49.072 real_cost = -157.771 Pmodeller6_TS1-scwrl costs 37.097 real_cost = -170.475 Pmodeller6_TS1 costs 37.097 real_cost = -171.689 Phyre-2_TS5-scwrl costs 52.219 real_cost = -107.907 Phyre-2_TS5 costs 52.219 real_cost = -100.905 Phyre-2_TS4-scwrl costs 55.748 real_cost = -97.498 Phyre-2_TS4 costs 55.748 real_cost = -94.450 Phyre-2_TS3-scwrl costs 55.493 real_cost = -98.023 Phyre-2_TS3 costs 55.493 real_cost = -94.970 Phyre-2_TS2-scwrl costs 55.493 real_cost = -98.040 Phyre-2_TS2 costs 55.493 real_cost = -94.987 Phyre-2_TS1-scwrl costs 55.751 real_cost = -104.958 Phyre-2_TS1 costs 55.751 real_cost = -99.069 Phyre-1_TS1-scwrl costs 49.550 real_cost = -82.391 Phyre-1_TS1 costs 49.550 real_cost = -82.201 Pcons6_TS5-scwrl costs 49.049 real_cost = -157.082 Pcons6_TS5 costs 49.049 real_cost = -157.078 Pcons6_TS4-scwrl costs 47.232 real_cost = -158.367 Pcons6_TS4 costs 47.232 real_cost = -158.344 Pcons6_TS3-scwrl costs 42.243 real_cost = -125.618 Pcons6_TS3 costs 42.243 real_cost = -125.326 Pcons6_TS2-scwrl costs 49.072 real_cost = -157.164 Pcons6_TS2 costs 49.072 real_cost = -157.771 Pcons6_TS1-scwrl costs 46.722 real_cost = -159.323 Pcons6_TS1 costs 46.722 real_cost = -160.762 PROTINFO_TS5-scwrl costs 57.407 real_cost = -33.589 PROTINFO_TS5 costs 57.407 real_cost = -33.676 PROTINFO_TS4-scwrl costs 59.242 real_cost = -2.874 PROTINFO_TS4 costs 59.242 real_cost = -3.003 PROTINFO_TS3-scwrl costs 70.922 real_cost = 2.674 PROTINFO_TS3 costs 70.922 real_cost = 4.820 PROTINFO_TS2-scwrl costs 63.469 real_cost = -6.004 PROTINFO_TS2 costs 63.469 real_cost = -5.867 PROTINFO_TS1-scwrl costs 50.969 real_cost = -118.434 PROTINFO_TS1 costs 50.969 real_cost = -115.249 PROTINFO-AB_TS5-scwrl costs 65.731 real_cost = 16.061 PROTINFO-AB_TS5 costs 65.731 real_cost = 14.472 PROTINFO-AB_TS4-scwrl costs 66.290 real_cost = 25.787 PROTINFO-AB_TS4 costs 66.290 real_cost = 18.120 PROTINFO-AB_TS3-scwrl costs 67.905 real_cost = 32.230 PROTINFO-AB_TS3 costs 67.905 real_cost = 33.936 PROTINFO-AB_TS2-scwrl costs 60.868 real_cost = 1.564 PROTINFO-AB_TS2 costs 60.868 real_cost = -0.422 PROTINFO-AB_TS1-scwrl costs 59.242 real_cost = -2.874 PROTINFO-AB_TS1 costs 59.242 real_cost = -3.003 NN_PUT_lab_TS1-scwrl costs 39.652 real_cost = -99.972 NN_PUT_lab_TS1 costs 39.643 real_cost = -98.682 MetaTasser_TS5-scwrl costs 58.310 real_cost = -93.516 MetaTasser_TS5 costs 58.310 real_cost = -93.794 MetaTasser_TS4-scwrl costs 64.330 real_cost = -93.080 MetaTasser_TS4 costs 64.330 real_cost = -88.981 MetaTasser_TS3-scwrl costs 78.119 real_cost = -48.732 MetaTasser_TS3 costs 78.119 real_cost = -50.379 MetaTasser_TS2-scwrl costs 65.023 real_cost = -73.634 MetaTasser_TS2 costs 65.023 real_cost = -69.969 MetaTasser_TS1-scwrl costs 46.977 real_cost = -178.164 MetaTasser_TS1 costs 46.977 real_cost = -173.430 Ma-OPUS-server_TS5-scwrl costs 56.878 real_cost = -92.878 Ma-OPUS-server_TS5 costs 56.878 real_cost = -91.895 Ma-OPUS-server_TS4-scwrl costs 55.716 real_cost = -20.751 Ma-OPUS-server_TS4 costs 55.716 real_cost = -19.040 Ma-OPUS-server_TS3-scwrl costs 47.430 real_cost = -129.713 Ma-OPUS-server_TS3 costs 47.430 real_cost = -128.360 Ma-OPUS-server_TS2-scwrl costs 47.331 real_cost = -98.163 Ma-OPUS-server_TS2 costs 47.331 real_cost = -88.131 Ma-OPUS-server_TS1-scwrl costs 49.177 real_cost = -20.953 Ma-OPUS-server_TS1 costs 49.177 real_cost = -18.514 MIG_FROST_AL1-scwrl costs 180.528 real_cost = 437.768 MIG_FROST_AL1 costs 180.521 real_cost = 317.025 LOOPP_TS5-scwrl costs 56.817 real_cost = -106.186 LOOPP_TS5 costs 56.817 real_cost = -100.449 LOOPP_TS4-scwrl costs 53.263 real_cost = -63.469 LOOPP_TS4 costs 53.263 real_cost = -54.591 LOOPP_TS3-scwrl costs 54.217 real_cost = -72.425 LOOPP_TS3 costs 54.217 real_cost = -70.103 LOOPP_TS2-scwrl costs 46.861 real_cost = -68.415 LOOPP_TS2 costs 46.861 real_cost = -59.525 LOOPP_TS1-scwrl costs 39.652 real_cost = -99.972 LOOPP_TS1 costs 39.643 real_cost = -98.682 Huber-Torda-Server_TS5-scwrl costs 64.150 real_cost = 35.365 Huber-Torda-Server_TS5 costs 64.233 real_cost = 129.814 Huber-Torda-Server_TS4-scwrl costs 71.303 real_cost = 79.432 Huber-Torda-Server_TS4 costs 71.279 real_cost = 174.021 Huber-Torda-Server_TS3-scwrl costs 64.354 real_cost = 30.231 Huber-Torda-Server_TS3 costs 64.237 real_cost = 92.769 Huber-Torda-Server_TS2-scwrl costs 54.496 real_cost = -34.847 Huber-Torda-Server_TS2 costs 54.465 real_cost = 78.819 Huber-Torda-Server_TS1-scwrl costs 51.467 real_cost = -53.883 Huber-Torda-Server_TS1 costs 51.491 real_cost = 38.529 HHpred3_TS1-scwrl costs 41.709 real_cost = -176.538 HHpred3_TS1 costs 41.709 real_cost = -171.650 HHpred2_TS1-scwrl costs 41.709 real_cost = -176.538 HHpred2_TS1 costs 41.709 real_cost = -171.650 HHpred1_TS1-scwrl costs 45.963 real_cost = -142.240 HHpred1_TS1 costs 45.963 real_cost = -144.437 GeneSilicoMetaServer_TS5-scwrl costs 50.984 real_cost = -56.738 GeneSilicoMetaServer_TS5 costs 50.984 real_cost = -56.108 GeneSilicoMetaServer_TS4-scwrl costs 52.842 real_cost = -71.247 GeneSilicoMetaServer_TS4 costs 52.842 real_cost = -68.882 GeneSilicoMetaServer_TS3-scwrl costs 46.623 real_cost = -141.921 GeneSilicoMetaServer_TS3 costs 46.623 real_cost = -144.328 GeneSilicoMetaServer_TS2-scwrl costs 48.378 real_cost = -86.321 GeneSilicoMetaServer_TS2 costs 48.378 real_cost = -82.284 GeneSilicoMetaServer_TS1-scwrl costs 44.670 real_cost = -150.439 GeneSilicoMetaServer_TS1 costs 44.670 real_cost = -148.428 FUNCTION_TS5-scwrl costs 55.428 real_cost = -140.634 FUNCTION_TS5 costs 55.428 real_cost = -139.463 FUNCTION_TS4-scwrl costs 50.978 real_cost = -75.180 FUNCTION_TS4 costs 50.978 real_cost = -77.698 FUNCTION_TS3-scwrl costs 58.601 real_cost = -50.678 FUNCTION_TS3 costs 58.601 real_cost = -57.182 FUNCTION_TS2-scwrl costs 45.401 real_cost = -132.861 FUNCTION_TS2 costs 45.401 real_cost = -132.291 FUNCTION_TS1-scwrl costs 47.576 real_cost = -140.923 FUNCTION_TS1 costs 47.576 real_cost = -144.487 FUGUE_AL5-scwrl costs 83.583 real_cost = 120.776 FUGUE_AL5 costs 83.574 real_cost = 257.867 FUGUE_AL4-scwrl costs 86.313 real_cost = 178.478 FUGUE_AL4 costs 86.347 real_cost = 293.218 FUGUE_AL3-scwrl costs 66.801 real_cost = 59.514 FUGUE_AL3 costs 67.003 real_cost = 178.775 FUGUE_AL2-scwrl costs 54.271 real_cost = -78.162 FUGUE_AL2 costs 54.271 real_cost = 86.582 FUGUE_AL1-scwrl costs 58.739 real_cost = -87.721 FUGUE_AL1 costs 58.845 real_cost = 38.152 FUGMOD_TS5-scwrl costs 79.748 real_cost = 118.098 FUGMOD_TS5 costs 79.759 real_cost = 115.170 FUGMOD_TS4-scwrl costs 127.705 real_cost = 224.823 FUGMOD_TS4 costs 127.705 real_cost = 232.316 FUGMOD_TS3-scwrl costs 61.576 real_cost = 6.432 FUGMOD_TS3 costs 61.559 real_cost = 13.235 FUGMOD_TS2-scwrl costs 51.825 real_cost = -93.323 FUGMOD_TS2 costs 51.825 real_cost = -92.042 FUGMOD_TS1-scwrl costs 52.628 real_cost = -128.260 FUGMOD_TS1 costs 52.628 real_cost = -122.786 FPSOLVER-SERVER_TS5-scwrl costs 106.903 real_cost = 286.432 FPSOLVER-SERVER_TS5 costs 106.903 real_cost = 290.516 FPSOLVER-SERVER_TS4-scwrl costs 101.758 real_cost = 290.838 FPSOLVER-SERVER_TS4 costs 101.758 real_cost = 295.875 FPSOLVER-SERVER_TS3-scwrl costs 95.844 real_cost = 275.720 FPSOLVER-SERVER_TS3 costs 95.844 real_cost = 279.457 FPSOLVER-SERVER_TS2-scwrl costs 102.250 real_cost = 285.948 FPSOLVER-SERVER_TS2 costs 102.250 real_cost = 288.172 FPSOLVER-SERVER_TS1-scwrl costs 102.340 real_cost = 263.867 FPSOLVER-SERVER_TS1 costs 102.340 real_cost = 265.175 FORTE2_AL5-scwrl costs 55.081 real_cost = 12.412 FORTE2_AL5 costs 55.124 real_cost = 156.165 FORTE2_AL4-scwrl costs 70.333 real_cost = 124.417 FORTE2_AL4 costs 70.333 real_cost = 282.518 FORTE2_AL3-scwrl costs 60.874 real_cost = 5.790 FORTE2_AL3 costs 60.874 real_cost = 168.491 FORTE2_AL2-scwrl costs 46.202 real_cost = -46.329 FORTE2_AL2 costs 46.240 real_cost = 92.425 FORTE2_AL1-scwrl costs 49.961 real_cost = -88.946 FORTE2_AL1 costs 49.977 real_cost = 58.357 FORTE1_AL5-scwrl costs 54.572 real_cost = -0.891 FORTE1_AL5 costs 54.622 real_cost = 142.393 FORTE1_AL4-scwrl costs 71.824 real_cost = 123.596 FORTE1_AL4 costs 71.824 real_cost = 283.205 FORTE1_AL3-scwrl costs 46.202 real_cost = -46.329 FORTE1_AL3 costs 46.240 real_cost = 92.425 FORTE1_AL2-scwrl costs 61.601 real_cost = 7.864 FORTE1_AL2 costs 61.601 real_cost = 167.821 FORTE1_AL1-scwrl costs 50.173 real_cost = -89.867 FORTE1_AL1 costs 50.231 real_cost = 59.298 FOLDpro_TS5-scwrl costs 101.573 real_cost = 268.097 FOLDpro_TS5 costs 101.573 real_cost = 271.232 FOLDpro_TS4-scwrl costs 83.957 real_cost = 162.652 FOLDpro_TS4 costs 83.957 real_cost = 170.459 FOLDpro_TS3-scwrl costs 97.126 real_cost = 253.734 FOLDpro_TS3 costs 97.126 real_cost = 256.480 FOLDpro_TS2-scwrl costs 112.790 real_cost = 229.408 FOLDpro_TS2 costs 112.790 real_cost = 244.664 FOLDpro_TS1-scwrl costs 35.118 real_cost = -161.231 FOLDpro_TS1 costs 35.118 real_cost = -150.715 FAMS_TS5-scwrl costs 45.401 real_cost = -132.861 FAMS_TS5 costs 45.401 real_cost = -132.291 FAMS_TS4-scwrl costs 44.968 real_cost = -123.694 FAMS_TS4 costs 44.968 real_cost = -115.854 FAMS_TS3-scwrl costs 44.968 real_cost = -123.694 FAMS_TS3 costs 44.968 real_cost = -115.854 FAMS_TS2-scwrl costs 45.406 real_cost = -144.378 FAMS_TS2 costs 45.406 real_cost = -138.990 FAMS_TS1-scwrl costs 54.881 real_cost = -138.753 FAMS_TS1 costs 54.881 real_cost = -134.320 FAMSD_TS5-scwrl costs 52.048 real_cost = -133.523 FAMSD_TS5 costs 52.048 real_cost = -133.208 FAMSD_TS4-scwrl costs 44.968 real_cost = -123.694 FAMSD_TS4 costs 44.968 real_cost = -115.854 FAMSD_TS3-scwrl costs 45.903 real_cost = -129.692 FAMSD_TS3 costs 45.903 real_cost = -126.131 FAMSD_TS2-scwrl costs 50.663 real_cost = -131.461 FAMSD_TS2 costs 50.657 real_cost = -128.221 FAMSD_TS1-scwrl costs 45.406 real_cost = -144.378 FAMSD_TS1 costs 45.406 real_cost = -138.990 Distill_TS5-scwrl costs 244.868 real_cost = 454.392 Distill_TS4-scwrl costs 237.475 real_cost = 437.370 Distill_TS3-scwrl costs 241.888 real_cost = 442.860 Distill_TS2-scwrl costs 239.673 real_cost = 443.133 Distill_TS1-scwrl costs 243.181 real_cost = 419.408 CaspIta-FOX_TS5-scwrl costs 58.043 real_cost = 15.138 CaspIta-FOX_TS5 costs 58.058 real_cost = 8.973 CaspIta-FOX_TS4-scwrl costs 58.344 real_cost = 13.344 CaspIta-FOX_TS4 costs 58.344 real_cost = 13.771 CaspIta-FOX_TS3-scwrl costs 60.508 real_cost = -30.224 CaspIta-FOX_TS3 costs 60.430 real_cost = -32.354 CaspIta-FOX_TS2-scwrl costs 61.583 real_cost = -50.036 CaspIta-FOX_TS2 costs 61.583 real_cost = -51.911 CaspIta-FOX_TS1-scwrl costs 42.961 real_cost = -129.670 CaspIta-FOX_TS1 costs 42.958 real_cost = -137.457 CPHmodels_TS1-scwrl costs 89.495 real_cost = 205.634 CPHmodels_TS1 costs 89.476 real_cost = 214.195 CIRCLE_TS5-scwrl costs 45.903 real_cost = -129.692 CIRCLE_TS5 costs 45.903 real_cost = -126.131 CIRCLE_TS4-scwrl costs 44.968 real_cost = -123.694 CIRCLE_TS4 costs 44.968 real_cost = -115.854 CIRCLE_TS3-scwrl costs 45.401 real_cost = -132.861 CIRCLE_TS3 costs 45.401 real_cost = -132.291 CIRCLE_TS2-scwrl costs 47.576 real_cost = -140.923 CIRCLE_TS2 costs 47.576 real_cost = -144.487 CIRCLE_TS1-scwrl costs 45.406 real_cost = -144.378 CIRCLE_TS1 costs 45.406 real_cost = -138.990 Bilab-ENABLE_TS5-scwrl costs 54.346 real_cost = -3.216 Bilab-ENABLE_TS5 costs 54.346 real_cost = -3.791 Bilab-ENABLE_TS4-scwrl costs 48.147 real_cost = -12.337 Bilab-ENABLE_TS4 costs 48.147 real_cost = -12.337 Bilab-ENABLE_TS3-scwrl costs 51.955 real_cost = -134.462 Bilab-ENABLE_TS3 costs 51.955 real_cost = -134.958 Bilab-ENABLE_TS2-scwrl costs 54.609 real_cost = -37.258 Bilab-ENABLE_TS2 costs 54.609 real_cost = -37.258 Bilab-ENABLE_TS1-scwrl costs 51.996 real_cost = -94.865 Bilab-ENABLE_TS1 costs 51.996 real_cost = -94.865 BayesHH_TS1-scwrl costs 46.495 real_cost = -161.021 BayesHH_TS1 costs 46.495 real_cost = -163.847 ABIpro_TS5-scwrl costs 71.784 real_cost = 216.621 ABIpro_TS5 costs 71.784 real_cost = 217.401 ABIpro_TS4-scwrl costs 66.509 real_cost = 244.813 ABIpro_TS4 costs 66.509 real_cost = 244.801 ABIpro_TS3-scwrl costs 65.376 real_cost = 260.002 ABIpro_TS3 costs 65.376 real_cost = 260.002 ABIpro_TS2-scwrl costs 76.644 real_cost = 248.535 ABIpro_TS2 costs 76.644 real_cost = 248.832 ABIpro_TS1-scwrl costs 78.993 real_cost = 243.517 ABIpro_TS1 costs 78.993 real_cost = 243.494 3Dpro_TS5-scwrl costs 96.896 real_cost = 244.933 3Dpro_TS5 costs 96.896 real_cost = 243.349 3Dpro_TS4-scwrl costs 88.647 real_cost = 254.352 3Dpro_TS4 costs 88.647 real_cost = 256.430 3Dpro_TS3-scwrl costs 93.300 real_cost = 261.674 3Dpro_TS3 costs 93.300 real_cost = 258.928 3Dpro_TS2-scwrl costs 110.314 real_cost = 240.944 3Dpro_TS2 costs 110.314 real_cost = 242.650 3Dpro_TS1-scwrl costs 35.517 real_cost = -168.848 3Dpro_TS1 costs 35.517 real_cost = -164.029 3D-JIGSAW_TS5-scwrl costs 58.936 real_cost = 36.267 3D-JIGSAW_TS5 costs 58.934 real_cost = 27.341 3D-JIGSAW_TS4-scwrl costs 77.801 real_cost = 91.383 3D-JIGSAW_TS4 costs 77.793 real_cost = 98.877 3D-JIGSAW_TS3-scwrl costs 61.324 real_cost = 88.193 3D-JIGSAW_TS3 costs 61.317 real_cost = 84.536 3D-JIGSAW_TS2-scwrl costs 78.499 real_cost = 67.544 3D-JIGSAW_TS2 costs 78.420 real_cost = 66.389 3D-JIGSAW_TS1-scwrl costs 90.710 real_cost = 131.299 3D-JIGSAW_TS1 costs 90.702 real_cost = 137.680 3D-JIGSAW_RECOM_TS5-scwrl costs 68.092 real_cost = 7.240 3D-JIGSAW_RECOM_TS5 costs 68.107 real_cost = 4.715 3D-JIGSAW_RECOM_TS4-scwrl costs 60.483 real_cost = -15.347 3D-JIGSAW_RECOM_TS4 costs 60.471 real_cost = -21.426 3D-JIGSAW_RECOM_TS3-scwrl costs 65.553 real_cost = -9.769 3D-JIGSAW_RECOM_TS3 costs 65.569 real_cost = -21.470 3D-JIGSAW_RECOM_TS2-scwrl costs 64.632 real_cost = -18.359 3D-JIGSAW_RECOM_TS2 costs 64.620 real_cost = -26.089 3D-JIGSAW_RECOM_TS1-scwrl costs 62.415 real_cost = 16.509 3D-JIGSAW_RECOM_TS1 costs 62.430 real_cost = 5.391 3D-JIGSAW_POPULUS_TS5-scwrl costs 59.233 real_cost = -12.116 3D-JIGSAW_POPULUS_TS5 costs 59.249 real_cost = -23.338 3D-JIGSAW_POPULUS_TS4-scwrl costs 67.670 real_cost = 6.715 3D-JIGSAW_POPULUS_TS4 costs 67.686 real_cost = -4.166 3D-JIGSAW_POPULUS_TS3-scwrl costs 62.270 real_cost = -3.536 3D-JIGSAW_POPULUS_TS3 costs 62.285 real_cost = -14.772 3D-JIGSAW_POPULUS_TS2-scwrl costs 67.515 real_cost = 19.114 3D-JIGSAW_POPULUS_TS2 costs 67.552 real_cost = 8.401 3D-JIGSAW_POPULUS_TS1-scwrl costs 64.588 real_cost = 20.689 3D-JIGSAW_POPULUS_TS1 costs 64.598 real_cost = 9.904 chimera2.pdb.gz costs 53.793 real_cost = -93.007 chimera1.pdb.gz costs 48.051 real_cost = -132.659 T0303.try9-opt2.repack-nonPC.pdb.gz costs 57.943 real_cost = -121.914 T0303.try9-opt2.pdb.gz costs 57.943 real_cost = -118.933 T0303.try9-opt2.gromacs0.pdb.gz costs 41.636 real_cost = -117.725 T0303.try9-opt1.pdb.gz costs 56.049 real_cost = -119.902 T0303.try9-opt1-scwrl.pdb.gz costs 56.049 real_cost = -123.555 T0303.try8-opt2.repack-nonPC.pdb.gz costs 55.369 real_cost = -72.148 T0303.try8-opt2.pdb.gz costs 55.369 real_cost = -75.468 T0303.try8-opt2.gromacs0.pdb.gz costs 41.378 real_cost = -76.192 T0303.try8-opt1.pdb.gz costs 54.504 real_cost = -83.365 T0303.try8-opt1-scwrl.pdb.gz costs 54.504 real_cost = -83.572 T0303.try7-opt2.repack-nonPC.pdb.gz costs 56.382 real_cost = -123.337 T0303.try7-opt2.pdb.gz costs 56.382 real_cost = -121.884 T0303.try7-opt2.gromacs0.pdb.gz costs 40.829 real_cost = -119.899 T0303.try7-opt1.pdb.gz costs 53.429 real_cost = -133.370 T0303.try7-opt1-scwrl.pdb.gz costs 53.429 real_cost = -132.550 T0303.try6-opt2.repack-nonPC.pdb.gz costs 47.576 real_cost = 119.749 T0303.try6-opt2.pdb.gz costs 47.576 real_cost = 119.898 T0303.try6-opt2.gromacs0.pdb.gz costs 43.819 real_cost = 115.060 T0303.try6-opt1.pdb.gz costs 45.231 real_cost = 110.753 T0303.try6-opt1-scwrl.pdb.gz costs 45.231 real_cost = 115.426 T0303.try5-opt2.repack-nonPC.pdb.gz costs 54.887 real_cost = 28.055 T0303.try5-opt2.pdb.gz costs 54.887 real_cost = 26.322 T0303.try5-opt2.gromacs0.pdb.gz costs 51.938 real_cost = 28.813 T0303.try5-opt1.pdb.gz costs 55.966 real_cost = 22.358 T0303.try5-opt1-scwrl.pdb.gz costs 55.966 real_cost = 23.175 T0303.try4-opt2.repack-nonPC.pdb.gz costs 68.160 real_cost = -1.810 T0303.try4-opt2.pdb.gz costs 68.160 real_cost = -1.721 T0303.try4-opt2.gromacs0.pdb.gz costs 55.571 real_cost = 1.713 T0303.try4-opt1.pdb.gz costs 60.583 real_cost = -5.221 T0303.try4-opt1-scwrl.pdb.gz costs 60.583 real_cost = -5.379 T0303.try3-opt2.repack-nonPC.pdb.gz costs 45.346 real_cost = -165.374 T0303.try3-opt2.pdb.gz costs 45.346 real_cost = -165.351 T0303.try3-opt2.gromacs0.pdb.gz costs 36.527 real_cost = -166.550 T0303.try3-opt1.pdb.gz costs 44.959 real_cost = -170.681 T0303.try3-opt1-scwrl.pdb.gz costs 44.959 real_cost = -167.782 T0303.try2-opt2.repack-nonPC.pdb.gz costs 62.147 real_cost = -17.940 T0303.try2-opt2.pdb.gz costs 62.147 real_cost = -18.553 T0303.try2-opt2.gromacs0.pdb.gz costs 54.095 real_cost = -17.307 T0303.try2-opt1.pdb.gz costs 62.096 real_cost = -17.771 T0303.try2-opt1-scwrl.pdb.gz costs 62.096 real_cost = -15.342 T0303.try17-opt2.repack-nonPC.pdb.gz costs 48.091 real_cost = -83.310 T0303.try17-opt2.pdb.gz costs 48.091 real_cost = -78.643 T0303.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 38.291 real_cost = -81.632 T0303.try17-opt2.gromacs0.pdb.gz costs 38.291 real_cost = -77.929 T0303.try17-opt1.pdb.gz costs 46.591 real_cost = -77.802 T0303.try17-opt1-scwrl.pdb.gz costs 46.591 real_cost = -79.660 T0303.try16-opt2.repack-nonPC.pdb.gz costs 52.388 real_cost = -115.898 T0303.try16-opt2.pdb.gz costs 52.388 real_cost = -113.010 T0303.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.750 real_cost = -116.330 T0303.try16-opt2.gromacs0.pdb.gz costs 40.750 real_cost = -114.341 T0303.try16-opt1.pdb.gz costs 51.381 real_cost = -115.553 T0303.try16-opt1-scwrl.pdb.gz costs 51.381 real_cost = -121.169 T0303.try15-opt2.repack-nonPC.pdb.gz costs 53.192 real_cost = -63.075 T0303.try15-opt2.pdb.gz costs 53.192 real_cost = -63.330 T0303.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 43.840 real_cost = -63.304 T0303.try15-opt2.gromacs0.pdb.gz costs 43.840 real_cost = -63.725 T0303.try15-opt1.pdb.gz costs 48.738 real_cost = -67.407 T0303.try15-opt1-scwrl.pdb.gz costs 48.738 real_cost = -64.895 T0303.try14-opt2.repack-nonPC.pdb.gz costs 56.568 real_cost = -142.958 T0303.try14-opt2.pdb.gz costs 56.568 real_cost = -140.008 T0303.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.551 real_cost = -140.609 T0303.try14-opt2.gromacs0.pdb.gz costs 40.551 real_cost = -139.483 T0303.try14-opt1.pdb.gz costs 51.034 real_cost = -136.528 T0303.try14-opt1-scwrl.pdb.gz costs 51.034 real_cost = -136.230 T0303.try13-opt2.repack-nonPC.pdb.gz costs 58.660 real_cost = -147.208 T0303.try13-opt2.pdb.gz costs 58.660 real_cost = -143.576 T0303.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 39.418 real_cost = -142.308 T0303.try13-opt2.gromacs0.pdb.gz costs 39.418 real_cost = -138.720 T0303.try13-opt1.pdb.gz costs 49.829 real_cost = -146.346 T0303.try13-opt1-scwrl.pdb.gz costs 49.829 real_cost = -147.005 T0303.try12-opt2.repack-nonPC.pdb.gz costs 51.662 real_cost = -140.570 T0303.try12-opt2.pdb.gz costs 51.662 real_cost = -136.978 T0303.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 37.489 real_cost = -141.806 T0303.try12-opt2.gromacs0.pdb.gz costs 37.489 real_cost = -136.371 T0303.try12-opt1.pdb.gz costs 48.516 real_cost = -138.481 T0303.try12-opt1-scwrl.pdb.gz costs 48.516 real_cost = -136.007 T0303.try11-opt2.repack-nonPC.pdb.gz costs 65.101 real_cost = -6.728 T0303.try11-opt2.pdb.gz costs 65.101 real_cost = -7.205 T0303.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.293 real_cost = -5.212 T0303.try11-opt2.gromacs0.pdb.gz costs 54.293 real_cost = -5.842 T0303.try11-opt1.pdb.gz costs 60.118 real_cost = -7.967 T0303.try11-opt1-scwrl.pdb.gz costs 60.118 real_cost = -8.533 T0303.try10-opt2.repack-nonPC.pdb.gz costs 51.394 real_cost = -77.889 T0303.try10-opt2.pdb.gz costs 51.394 real_cost = -76.355 T0303.try10-opt2.gromacs0.pdb.gz costs 41.199 real_cost = -78.685 T0303.try10-opt1.pdb.gz costs 52.958 real_cost = -76.159 T0303.try10-opt1-scwrl.pdb.gz costs 52.958 real_cost = -76.146 T0303.try1-opt2.repack-nonPC.pdb.gz costs 61.227 real_cost = -14.987 T0303.try1-opt2.pdb.gz costs 61.227 real_cost = -16.213 T0303.try1-opt1.pdb.gz costs 58.468 real_cost = -17.430 T0303.try1-opt1-scwrl.pdb.gz costs 58.468 real_cost = -18.290 ../model5.ts-submitted costs 53.526 real_cost = -78.822 ../model4.ts-submitted costs 68.160 real_cost = -1.628 ../model3.ts-submitted costs 44.943 real_cost = -165.652 ../model2.ts-submitted costs 52.038 real_cost = -76.413 ../model1.ts-submitted costs 58.144 real_cost = -118.927 align5 costs 52.539 real_cost = 6.660 align4 costs 50.492 real_cost = -49.351 align3 costs 59.391 real_cost = -28.335 align2 costs 65.954 real_cost = -29.180 align1 costs 52.189 real_cost = -85.462 T0303.try1-opt2.pdb costs 61.227 real_cost = -16.207 model5-scwrl costs 53.656 real_cost = -18.360 model5.ts-submitted costs 53.526 real_cost = -78.822 model4-scwrl costs 68.160 real_cost = -1.606 model4.ts-submitted costs 68.160 real_cost = -1.628 model3-scwrl costs 44.943 real_cost = -165.906 model3.ts-submitted costs 44.943 real_cost = -165.652 model2-scwrl costs 52.038 real_cost = -77.471 model2.ts-submitted costs 52.038 real_cost = -76.413 model1-scwrl costs 58.244 real_cost = -122.421 model1.ts-submitted costs 58.144 real_cost = -118.932 2hszA costs 34.323 real_cost = -892.200 # command:CPU_time= 1898.839 sec, elapsed time= 2220.953 sec. # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.anglevector.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.anglevector.rdb mv -f decoys/evaluate.anglevector.pretty decoys/evaluate.anglevector.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.anglevector.rdb > decoys/evaluate.anglevector.pretty make[1]: Leaving directory `/projects/compbio/experiments/protein-predict/casp7/T0303'